Publications

Jean-Christophe Charlier’s google scholar page is here

2024

Zhou, Jiaqi; Poncé, Samuel; Charlier, Jean-Christophe. Enhanced spin Hall ratio in two-dimensional semiconductors. In: npj Computational Materials, Vol. 10, no.1, p. 247 (2024).
doi:10.1038/s41524-024-01434-z. http://hdl.handle.net/2078.1/292877

Galvani, Thomas; Hamze, Ali K; Caputo, Laura; Kaya, Onurcan; Dubois, Simon M-M; Colombo, Luigi; Nguyen, Viet-Hung; Shin, Yongwoo; Shin, Hyeon-Jin; Charlier, Jean-Christophe; Roche, Stephan. Exploring dielectric properties in atomistic models of amorphous boron nitride. In: Journal of Physics: Materials, Vol. 7, no.3, p. 035003 (2024).
doi:10.1088/2515-7639/ad4c06. http://hdl.handle.net/2078.1/289104

Zhou, Jiaqi; Poncé, Samuel; Charlier, Jean-Christophe. Guidelines for accurate and efficient calculations of mobilities in two-dimensional semiconductors. In: Physical Review B, Vol. 110, no.12, p. 125304 (2024).
doi:10.1103/physrevb.110.125304. http://hdl.handle.net/2078.1/292617

Dosenovic, Djordje; Dechamps, Samuel; Sharma, Kshipra; Rouviere, Jean-Luc; Lu, Yiran; den Hertog, Martien Ilse; Genovese, Luigi; Dubois, Simon M-M; Charlier, Jean-Christophe; Jamet, Matthieu; Marty, Alain; Okuno, Hanako. Imaging Negative Charge around Single Vanadium Dopant Atoms in Monolayer Tungsten Diselenide Using 4D Scanning Transmission Electron Microscopy. In: ACS Nano, Vol. 18, no.34, p. 23354-23364 (2024).
doi:10.1021/acsnano.4c06561. http://hdl.handle.net/2078.1/292904

Tran, Viet Anh; Nguyen, Viet-Hung; Charlier, Jean-Christophe. Klein tunneling degradation and enhanced Fabry-Pérot interference in graphene/h-BN moiré-superlattice devices. In: 2D Materials, Vol. 11, no.2, p. 025023 (2024).
doi:10.1088/2053-1583/ad27e8. http://hdl.handle.net/2078.1/285637

Wei, Hao; Dubois, Simon M-M; Brunnett, Frederic; Peiro, Julian; Godel, Florian; Carrétéro, Cécile; Panciera, Federico; Collin, Sophie; Bouamrane, Fayçal; Zatko, Victor; Galbiati, Marta; Carré, Etienne; Patriarche, Gilles; Petroff, Frédéric; Charlier, Jean-Christophe; Martin, Marie‐Blandine; Dlubak, Bruno; Seneor, Pierre. Large‐Area Artificial van der Waals “Mille‐Feuille” Superlattices. In: Advanced Materials Interfaces, Vol. -, no.-, p. 2400409 (2024).
doi:10.1002/admi.202400409. http://hdl.handle.net/2078.1/289122

Dechamps, Samuel; Nguyen, Viet-Hung; Charlier, Jean-Christophe. Lateral junctions of transition metal dichalcogenides as ballistic channels for straintronic applications. In: Nanotechnology, Vol. 35, no.17, p. 175201 (2024).
doi:10.1088/1361-6528/ad1d78. http://hdl.handle.net/2078.1/285635

Caputo, Laura; Nguyen, Viet-Hung; Charlier, Jean-Christophe. Thermoelectric properties of graphene through BN-ring doping: A theoretical investigation. In: Carbon, Vol. 229, no.-, p. 119456 (2024).
doi:10.1016/j.carbon.2024.119456. http://hdl.handle.net/2078.1/291024

2023

Zanolli, Zeila; Malcıoğlu, Osman Barış; Charlier, Jean-Christophe. Carbynes connected to polycyclic aromatic hydrocarbons as potential carriers of diffuse interstellar bands. In: Astronomy & Astrophysics, Vol. 675, no.-, p. L9 (2023).
doi:10.1051/0004-6361/202245721. http://hdl.handle.net/2078.1/279634

Cardia, Roberto; Dardenne, Nicolas; Mula, Guido; Pinna, Elisa; Rignanese, Gian-Marco; Charlier, Jean-Christophe; Cappellini, Giancarlo. First-Principles Investigation of the Optical Properties of Eumelanin Protomolecules. In: The Journal of Physical Chemistry A, Vol. 127, no.51, p. 10797-10806 (2023).
doi:10.1021/acs.jpca.3c04898. http://hdl.handle.net/2078.1/284002

Marazzi, Enrico; Ghojavand, Ali; Pirard, Jérémie; Petretto, Guido; Charlier, Jean-Christophe; Rignanese, Gian-Marco. Modeling symmetric and defect-free carbon schwarzites into various zeolite templates. In: Carbon, Vol. 215, no.-, p. 118385 (2023).
doi:10.1016/j.carbon.2023.118385. http://hdl.handle.net/2078.1/278086

Arrighi, Everton; Nguyen, Viet-Hung; Di Luca, Mario; Maffione, Gaia; Hong, Yuanzhuo; Farrar, Liam; Watanabe, Kenji; Taniguchi, Takashi; Mailly, Dominique; Charlier, Jean-Christophe; Ribeiro-Palau, Rebeca. Non-identical moiré twins in bilayer graphene. In: Nature Communications, Vol. 14, no.1, p. 8178 (2023).
doi:10.1038/s41467-023-43965-x. http://hdl.handle.net/2078.1/284007

Canetta, Alessandra; Gonzalez-Munoz, Sergio; Nguyen, Viet-Hung; Agarwal, Khushboo; de Crombrugghe de Picquendaele, Pauline; Hong, Yuanzhuo; Mohapatra, Sambit; Watanabe, Kenji; Taniguchi, Takashi; Nysten, Bernard; Hackens, Benoît; Ribeiro-Palau, Rebeca; Charlier, Jean-Christophe; Kolosov, Oleg Victor; Spiece, Jean; Gehring, Pascal. Quantifying the local mechanical properties of twisted double bilayer graphene. In: Nanoscale, Vol. 15, no. 18, p. 8134-8140 (2023).
doi:10.1039/d3nr00388d. http://hdl.handle.net/2078.1/275373

Nguyen, Viet-Hung; Charlier, Jean-Christophe. Recursive Green’s functions optimized for atomistic modelling of large superlattice-based devices. In: Journal of Computational Electronics, Vol. 22, no.5, p. 1215-1230 (2023).
doi:10.1007/s10825-023-02052-6. http://hdl.handle.net/2078.1/279632

Feng, Shuang; Yao, Yufang; Charlier, Jean-Christophe; Rignanese, Gian-Marco; Wang, Junjie. h-MBenes (M/B = 1:1) as Promising Electrocatalysts for Nitrogen Reduction Reaction: A Theoretical Study. In: Chemistry of Materials, Vol. 35, no.21, p. 9019-9028 (2023).
doi:10.1021/acs.chemmater.3c01656. http://hdl.handle.net/2078.1/284005

2022

Zatko, Victor; Dubois, Simon M-M; Godel, Florian; Galbiati, Marta; Peiro, Julian; Sander, Anke; Carretero, Cécile; Vecchiola, Aymeric; Collin, Sophie; Bouzehouane, Karim; Servet, Bernard; Petroff, Frédéric; Charlier, Jean-Christophe; Martin, Marie-Blandine; Dlubak, Bruno; Seneor, Pierre. Almost Perfect Spin Filtering in Graphene-Based Magnetic Tunnel Junctions. In: ACS Nano, Vol. 16, no.9, p. 14007-14016 (2022).
doi:10.1021/acsnano.2c03625. http://hdl.handle.net/2078.1/265797

Nguyen, Viet-Hung; Hoang, Trinh X; Charlier, Jean-Christophe. Electronic properties of twisted multilayer graphene. In: Journal of Physics: Materials, Vol. 5, no.3, p. 034003 (2022).
doi:10.1088/2515-7639/ac6c4a. http://hdl.handle.net/2078.1/263176

Gadelha, Andreij C.; Nguyen, Viet-Hung; Neto, Eliel G. S.; Santana, Fabiano; Raschke, Markus B.; Lamparski, Michael; Meunier, Vincent; Charlier, Jean-Christophe; Jorio, Ado. Electron–Phonon Coupling in a Magic-Angle Twisted-Bilayer Graphene Device from Gate-Dependent Raman Spectroscopy and Atomistic Modeling. In: Nano Letters, Vol. 22, no.15, p. 6069-6074 (2022).
doi:10.1021/acs.nanolett.2c00905. http://hdl.handle.net/2078.1/265392

Caputo, Laura; Nguyen, Viet-Hung; Charlier, Jean-Christophe. First-principles study of the structural and electronic properties of BN-ring doped graphene. In: Physical Review Materials, Vol. 6, no.11, p. 114001 (2022).
doi:10.1103/physrevmaterials.6.114001. http://hdl.handle.net/2078.1/268207

Morinobu Endo; Toshiaki Enoki,; Charlier, Jean-Christophe; Saito, Riichiro; Marcos A. Pimenta; Ado Jorio; Antonio G. Souza Filho; Humberto Terrones; Jing Kong; Mauricio Terrones. Gene F. Dresselhaus (1929–2021) – A Tribute from the Carbon journal. In: Carbon, Vol. 187, no.-, p. 488-492 (2022).
doi:10.1016/j.carbon.2021.11.004. http://hdl.handle.net/2078.1/257582

Brun-Barrière, Boris; Nguyen, Viet-Hung; Moreau, Nicolas; Somanchi, Sowmya; Watanabe, Kenji; Taniguchi, Takashi; Charlier, Jean-Christophe; Stampfer, Christoph; Hackens, Benoît. Graphene Whisperitronics: Transducing Whispering Gallery Modes into Electronic Transport. In: Nano Letters, Vol. 22, no.1, p. 128-134 (2021).
doi:10.1021/acs.nanolett.1c03451. http://hdl.handle.net/2078.1/257457

Martin, Pascal; Dlubak, Bruno; Seneor, Pierre; Mattana, Richard; Martin, Marie‐Blandine; Lafarge, Philippe; Mallet, François; Della Rocca, Maria Luisa; Dubois, Simon M-M; Charlier, Jean-Christophe; Barraud, Clément. Organic–Inorganic Hybrid Interfaces for Spin Injection into Carbon Nanotubes and Graphene. In: Advanced Quantum Technologies, Vol. -, no.-, p. 2100166 (2022).
doi:10.1002/qute.202100166. http://hdl.handle.net/2078.1/259901

Romito, Deborah; Fresta, Elisa; Cavinato, Luca M.; Kählig, Hanspeter; Amenitsch, Heinz; Caputo, Laura; Chen, Yusheng; Samorì, Paolo; Charlier, Jean-Christophe; Costa, Rubén D.; Bonifazi, Davide. Supramolecular Chalcogen‐Bonded Semiconducting Nanoribbons at Work in Lighting Devices. In: Angewandte Chemie International Edition, Vol. -, no.-, p. e202202137 (2022).
doi:10.1002/anie.202202137. http://hdl.handle.net/2078.1/263180

Çınar, Mustafa Neşet; Antidormi, Aleandro; Nguyen, Viet-Hung; Kovtun, Alessandro; Lara-Avila, Samuel; Liscio, Andrea; Charlier, Jean-Christophe; Roche, Stephan; Sevinçli, Hâldun. Toward Optimized Charge Transport in Multilayer Reduced Graphene Oxides. In: Nano Letters, Vol. 22, no.6, p. 2202-2208 (2022).
doi:10.1021/acs.nanolett.1c03883. http://hdl.handle.net/2078.1/259691

2021

Zatko, Victor; Dubois, Simon M-M; Godel, Florian; Carrétéro, Cécile; Sander, Anke; Collin, Sophie; Galbiati, Marta; Peiro, Julian; Panciera, Federico; Patriarche, Gilles; Brus, Pierre; Servet, Bernard; Charlier, Jean-Christophe; Martin, Marie-Blandine; Dlubak, Bruno; Seneor, Pierre. Band-Gap Landscape Engineering in Large-Scale 2D Semiconductor van der Waals Heterostructures. In: ACS Nano, Vol. 15, no.4, p. 7279-7289 (2021).
doi:10.1021/acsnano.1c00544. http://hdl.handle.net/2078.1/245736

Zhou, Jiaqi; Charlier, Jean-Christophe. Controllable spin current in van der Waals ferromagnet Fe3GeTe2. In: Physical Review Research, Vol. 3, no.4, p. L042033-1 (2021).
doi:10.1103/physrevresearch.3.l042033. http://hdl.handle.net/2078.1/254401

Nguyen, Viet-Hung; Paszko, David; Lamparski, M; Van Troeye, Benoit; Meunier, V; Charlier, Jean-Christophe. Electronic localization in small-angle twisted bilayer graphene. In: 2D Materials, Vol. 8, no.3, p. 035046 (2021).
doi:10.1088/2053-1583/ac044f. http://hdl.handle.net/2078.1/248324

Andreij C. Gadelha; Douglas A. A. Ohlberg; Cassiano Rabelo; Eliel G. S. Neto; Thiago L. Vasconcelos; João L. Campos; Jessica S. Lemos; Vinícius Ornelas; Daniel Miranda; Rafael Nadas; Fabiano C. Santana; Kenji Watanabe; Takashi Taniguchi; Benoit van Troeye; Michael Lamparski; Vincent Meunier; Nguyen, Viet-Hung; Paszko, Dawid; Charlier, Jean-Christophe; Leonardo C. Campos; Luiz G. Cançado; Gilberto Medeiros-Ribeiro; Ado Jorio. Localization of lattice dynamics in low-angle twisted bilayer graphene. In: Nature, Vol. 590, p. 405-409 (2021).
doi:10.1038/s41586-021-03252-5. http://hdl.handle.net/2078.1/237667

Zhu, Qi; Botello‐Méndez, Andrés; Cheng, Luhua; Fajardo‐Diaz, Juan; Muñoz‐Sandoval, Emilio; López‐Urias, Florentino; Wang, Jiande; Gohy, Jean-François; Charlier, Jean-Christophe; Vlad, Alexandru. N‐doped carbon nanotube sponges and their excellent lithium storage performances. In: Nano Select, (2021).
doi:10.1002/nano.202100206. http://hdl.handle.net/2078.1/254397

2020

Nguyen, Viet-Hung; Charlier, Jean-Christophe. Aharonov–Bohm interferences in polycrystalline graphene. In: Nanoscale Advances, Vol. 2, no. 1, p. 256-263 (2020).
doi:10.1039/c9na00542k. http://hdl.handle.net/2078.1/227315

Champagne, Aurélie; Dechamps, Samuel; Dubois, Simon M-M; Lherbier, Aurélien; Nguyen, Viet-Hung; Charlier, Jean-Christophe. Computational Atomistic Modeling in Carbon Flatland and Other 2D Nanomaterials. In: Applied Sciences, Vol. 10, no.5, p. 1724 (2020).
doi:10.3390/app10051724. http://hdl.handle.net/2078.1/229852

Badr, Hussein O.; Champagne, Aurélie; Ouisse, Thierry; Charlier, Jean-Christophe; Barsoum, Michel W.. Elastic properties and hardness values of V2AlC and Cr2AlC single crystals. In: Physical Review Materials, Vol. 4, no.8, p. 083605 (2020).
doi:10.1103/physrevmaterials.4.083605. http://hdl.handle.net/2078.1/236395

Gali, Sai Manoj; Pershin, Anton; Lherbier, Aurélien; Charlier, Jean-Christophe; Beljonne, David. Electronic and Transport Properties in Defective MoS2: Impact of Sulfur Vacancies. In: The Journal of Physical Chemistry C, Vol. 124, no.28, p. 15076-15084 (2020).
doi:10.1021/acs.jpcc.0c04203. http://hdl.handle.net/2078.1/236397

Benoit Van Troeye; Lherbier, Aurélien; Dubois, Simon M-M; Charlier, Jean-Christophe; Gonze, Xavier. First-principles prediction of lattice coherency in van der Waals heterostructures. In: arXiv, (2020) (Soumis). http://hdl.handle.net/2078.1/237674

Bonnet, Roméo; Martin, Pascal; Suffit, Stéphan; Lafarge, Philippe; Lherbier, Aurélien; Charlier, Jean-Christophe; Della Rocca, Maria Luisa; Barraud, Clément. Giant spin signals in chemically functionalized multiwall carbon nanotubes. In: Science Advances, Vol. 6, no.31, p. eaba5494 (2020).
doi:10.1126/sciadv.aba5494. http://hdl.handle.net/2078.1/232241

Champagne, Aurélie; Battaglia, J.-L.; Ouisse, T.; Ricci, Francesco; Kusiak, A.; Pradere, C.; Natu, V.; Dewandre, A.; Verstraete, M. J.; Barsoum, M. W.; Charlier, Jean-Christophe. Heat Capacity and Anisotropic Thermal Conductivity in Cr2AlC Single Crystals at High Temperature. In: The Journal of Physical Chemistry C, Vol. 124, no.43, p. 24017-24028 (2020).
doi:10.1021/acs.jpcc.0c08384. http://hdl.handle.net/2078.1/237665

Champagne, Aurélie; Ricci, Francesco; Barbier, M.; Ouisse, T.; Magnin, Delphine; Ryelandt, Sophie; Pardoen, Thomas; Hautier, Geoffroy; Barsoum, M. W.; Charlier, Jean-Christophe. Insights into the elastic properties of RE-i-MAX phases and their potential exfoliation into two-dimensional RE-i-MXenes. In: Physical Review Materials, Vol. 4, no. 1, p. 013604 (2020).
doi:10.1103/physrevmaterials.4.013604. http://hdl.handle.net/2078.1/226529

Brun-Barrière, Boris; Moreau, Nicolas; Somanchi, S; Nguyen, Viet-Hung; Mreńca-Kolasińska, A; Watanabe, K; Taniguchi, T; Charlier, Jean-Christophe; Stampfer, C; Hackens, Benoît. Optimizing Dirac fermions quasi-confinement by potential smoothness engineering. In: 2D Materials, Vol. 7, no. 2, p. 025037 (2020).
doi:10.1088/2053-1583/ab734e. http://hdl.handle.net/2078.1/231300

Champagne, Aurélie; Charlier, Jean-Christophe. Physical properties of 2D MXenes: from a theoretical perspective. In: Journal of Physics: Materials, Vol. 3, no. 3, p. 032006 (2020).
doi:10.1088/2515-7639/ab97ee. http://hdl.handle.net/2078.1/236394

Piquemal-Banci, Maëlis; Galceran, Regina; Dubois, Simon M-M; Zatko, Victor; Galbiati, Marta; Godel, Florian; Martin, Marie-Blandine; Weatherup, Robert S.; Petroff, Frédéric; Fert, Albert; Charlier, Jean-Christophe; Robertson, John; Hofmann, Stephan; Dlubak, Bruno; Seneor, Pierre. Spin filtering by proximity effects at hybridized interfaces in spin-valves with 2D graphene barriers. In: Nature Communications, Vol. 11, no.1, p. – (2020).
doi:10.1038/s41467-020-19420-6. http://hdl.handle.net/2078.1/237662

Banerjee, Riju; Nguyen, Viet-Hung; Granzier-Nakajima, Tomotaroh; Pabbi, Lavish; Lherbier, Aurélien; Binion, Anna Ruth; Charlier, Jean-Christophe; Terrones, Mauricio; Hudson, Eric William. Strain Modulated Superlattices in Graphene. In: Nano Letters, Vol. 20, no.5, p. 3113-3121 (2020).
doi:10.1021/acs.nanolett.9b05108. http://hdl.handle.net/2078.1/229878

2019

Tonnelé, Claire; Pershin, Anton; Gali, Sai Manoj; Lherbier, Aurélien; Charlier, Jean-Christophe; Castet, Frédéric; Muccioli, Luca; Beljonne, David. Atomistic simulations of charge transport in photoswitchable organic-graphene hybrids. In: Journal of Physics: Materials, Vol. 2, no.3, p. 035001 (2019).
doi:10.1088/2515-7639/ab1314. http://hdl.handle.net/2078.1/218099

Zatko, Victor; Galbiati, Marta; Dubois, Simon M-M; Och, Mauro; Palczynski, Pawel; Mattevi, Cecilia; Brus, Pierre; Bezencenet, Odile; Martin, Marie-Blandine; Servet, Bernard; Charlier, Jean-Christophe; Godel, Florian; Vecchiola, Aymeric; Bouzehouane, Karim; Collin, Sophie; Petroff, Frédéric; Dlubak, Bruno; Seneor, Pierre. Band-Structure Spin-Filtering in Vertical Spin Valves Based on Chemical Vapor Deposited WS2. In: ACS Nano, Vol. 13, no.12, p. 14468-14476 (2019).
doi:10.1021/acsnano.9b08178. http://hdl.handle.net/2078.1/225938

Camacho-Mojica, Dulce C.; Cunning, Benjamin; Chatterjee, Shahana; Jin, Sunghwan; Ding, Feng; Charlier, Jean-Christophe; Ruoff, Rodney S.. Charge Transfer during the Dissociation of H2 and the Charge State of H Atoms in Liquid Gallium. In: The Journal of Physical Chemistry C, Vol. 123, no.44, p. 26769-26776 (2019).
doi:10.1021/acs.jpcc.9b06779. http://hdl.handle.net/2078.1/225928

Champagne, Aurélie; Chaix-Pluchery, O.; Ouisse, T.; Pinek, D.; Gélard, I.; Jouffret, L.; Barbier, M.; Wilhelm, F.; Tao, Q.; Lu, J.; Rosen, J.; Barsoum, M. W.; Charlier, Jean-Christophe. First-order Raman scattering of rare-earth containing i-MAX single crystals (Mo2/3RE1/3)2AlC (RE=Nd,Gd,Dy,Ho,Er). In: Physical Review Materials, Vol. 3, no.5, p. 053609 (2019).
doi:10.1103/physrevmaterials.3.053609. http://hdl.handle.net/2078.1/218101

Brun-Barrière, Boris; MOREAU, Nicolas; Somanchi, S.; Nguyen, Viet-Hung; Watanabe, K.; Taniguchi, T.; Charlier, Jean-Christophe; Stampfer, C.; Hackens, Benoît. Imaging Dirac fermions flow through a circular Veselago lens. In: Physical Review B, Vol. 100, no.4, p. 0414011 (2019).
doi:10.1103/physrevb.100.041401. http://hdl.handle.net/2078.1/219458

Galbiati, Marta; Tatay, Sergio; Dubois, Simon M-M; Godel, Florian; Galceran, Regina; Mañas-Valero, Samuel; Piquemal-Banci, Maëlis; Vecchiola, Aymeric; Charlier, Jean-Christophe; Forment-Aliaga, Alicia; Coronado, Eugenio; Dlubak, Bruno; Seneor, Pierre. Path to Overcome Material and Fundamental Obstacles in Spin Valves Based on MoS2 and Other Transition-Metal Dichalcogenides. In: Physical Review Applied, Vol. 12, no.4, p. 044022 (2019).
doi:10.1103/physrevapplied.12.044022. http://hdl.handle.net/2078.1/222335

Nguyen, Viet-Hung; Charlier, Jean-Christophe. Stepped graphene-based Aharonov–Bohm interferometers. In: 2D Materials, Vol. 6, no.4, p. 045045 (2019).
doi:10.1088/2053-1583/ab3500. http://hdl.handle.net/2078.1/222330

Cummings, Aron W.; Dubois, Simon M-M; Charlier, Jean-Christophe; Roche, Stephan. Universal Spin Diffusion Length in Polycrystalline Graphene. In: Nano Letters, Vol. 19, no.10, p. 7418-7426 (2019).
doi:10.1021/acs.nanolett.9b03112. http://hdl.handle.net/2078.1/222332

2018

Dardenne, Nicolas; Hautier, Geoffroy; Gohy, Jean-François; Charlier, Jean-Christophe; Rignanese, Gian-Marco. Ab initio calculations of open cell voltage in newly designed PTMA-based Li-ion organic radical batteries. In: Computational Materials Science, Vol. 143, p. 27-31 (2018).
doi:10.1016/j.commatsci.2017.10.038. http://hdl.handle.net/2078.1/189267

Dechamps, Samuel; Nguyen, Viet-Hung; Charlier, Jean-Christophe. Ab initio quantum transport in polycrystalline graphene. In: Nanoscale, Vol. 10, no.16, p. 7759-7768 (2018).
doi:10.1039/c8nr00289d. http://hdl.handle.net/2078.1/197400

Champagne, Aurélie; Shi, Lu; Ouisse, Thierry; Hackens, Benoît; Charlier, Jean-Christophe. Electronic and vibrational properties of V2C-based MXenes: From experiments to first-principles modeling. In: Physical Review B, Vol. 97, no.11, p. 115439 (2018).
doi:10.1103/physrevb.97.115439. http://hdl.handle.net/2078.1/199256

Piquemal-Banci, Maëlis; Galceran, Regina; Godel, Florian; Caneva, Sabina; Martin, Marie-Blandine; Weatherup, Robert S.; Kidambi, Piran R.; Bouzehouane, Karim; Xavier, Stephane; Anane, Abdelmadjid; Petroff, Frédéric; Fert, Albert; Dubois, Simon M-M; Charlier, Jean-Christophe; Robertson, John; Hofmann, Stephan; Dlubak, Bruno; Seneor, Pierre. Insulator-to-Metallic Spin-Filtering in 2D-Magnetic Tunnel Junctions Based on Hexagonal Boron Nitride. In: ACS Nano, Vol. 12, no.5, p. 4712-4718 (2018).
doi:10.1021/acsnano.8b01354. http://hdl.handle.net/2078.1/199252

Nguyen, Viet-Hung; Charlier, Jean-Christophe. Klein tunneling and electron optics in Dirac-Weyl fermion systems with tilted energy dispersion. In: Physical Review B, Vol. 97, no.23, p. 235113 (2018).
doi:10.1103/physrevb.97.235113. http://hdl.handle.net/2078.1/199248

Van Troeye, Benoît; Lherbier, Aurélien; Charlier, Jean-Christophe; Gonze, Xavier. Large phosphorene in-plane contraction induced by interlayer interactions in graphene-phosphorene heterostructures. In: Physical Review Materials, Vol. 2, no.7, p. 074001 (2018).
doi:10.1103/physrevmaterials.2.074001. http://hdl.handle.net/2078.1/201078

Lherbier, Aurélien; Vander Marcken, Gil; Van Troeye, Benoît; Botello-Méndez, Andrés Rafael; Adjizian, Jean Joseph; Hautier, Geoffroy; Gonze, Xavier; Rignanese, Gian-Marco; Charlier, Jean-Christophe. Lithiation properties of sp2 carbon allotropes. In: Physical Review Materials, Vol. 2, no.8, p. 085408 (2018).
doi:10.1103/physrevmaterials.2.085408. http://hdl.handle.net/2078.1/203763

Champagne, Aurélie; Bourdarot, F.; Bourges, P.; Piekarz, P.; Pinek, D.; Gélard, I.; Charlier, Jean-Christophe; Ouisse, T.. Phonon dispersion curves in Cr2AlC single-crystals. In: Materials Research Letters, Vol. 6, no.7, p. 378-383 (2018).
doi:10.1080/21663831.2018.1463298. http://hdl.handle.net/2078.1/197402

Tao, Q.; Ouisse, T.; Pinek, D.; Chaix-Pluchery, O.; Wilhelm, F.; Rogalev, A.; Opagiste, C.; Jouffret, L.; Champagne, Aurélie; Charlier, Jean-Christophe; Lu, J.; Hultman, L.; Barsoum, M. W.; Rosen, J.. Rare-earth (RE) nanolaminates Mo4RE4Al7C3 featuring ferromagnetism and mixed-valence states. In: Physical Review Materials, Vol. 2, no.11, p. 114401 (2018).
doi:10.1103/physrevmaterials.2.114401. http://hdl.handle.net/2078.1/210009

Salemi, Leandro; Lherbier, Aurélien; Charlier, Jean-Christophe. Spin-dependent properties in zigzag graphene nanoribbons with phenyl-edge defects. In: Physical Review B, Vol. 98, no.21, p. 214204 (2018).
doi:10.1103/physrevb.98.214204. http://hdl.handle.net/2078.1/210027

2017

Hammad, Mohamed; Adjizian, Jean Joseph; Sacré, Charles-Henri; Huet, Benjamin; Charlier, Jean-Christophe; Raskin, Jean-Pierre; Pardoen, Thomas. Adhesionless and near-ideal contact behavior of graphene on Cu thin film. In: Carbon, Vol. 122, p. 446-450 (2017).
doi:10.1016/j.carbon.2017.06.037. http://hdl.handle.net/2078.1/186747

Ben Romdhane, Ferdaous; Adjizian, Jean Joseph; Charlier, Jean-Christophe; Banhart, Florian. Electrical transport through atomic carbon chains: The role of contacts. In: Carbon, Vol. 122, no. -, p. 92-97 (2017).
doi:10.1016/j.carbon.2017.06.039. http://hdl.handle.net/2078.1/187829

Torche, Abderrezak; Mauri, Francesco; Charlier, Jean-Christophe; Calandra, Matteo. First-principles determination of the Raman fingerprint of rhombohedral graphite. In: Physical Review Materials, Vol. 1, no.4, p. 041001 (2017).
doi:10.1103/PhysRevMaterials.1.041001. http://hdl.handle.net/2078.1/187830

Nguyen, Viet-Hung; Lherbier, Aurélien; Charlier, Jean-Christophe. Optical Hall effect in strained graphene. In: 2D Materials, Vol. 4, no.2, p. 025041 (2017).
doi:10.1088/2053-1583/aa5f8b. http://hdl.handle.net/2078.1/184815

Mortazavi, Bohayra; Lherbier, Aurélien; Fan, Zheyong; Harju, Ari; Rabczuk, Timon; Charlier, Jean-Christophe. Thermal and electronic transport characteristics of highly stretchable graphene kirigami. In: Nanoscale, Vol. 9, p. 16329-16341 (2017).
doi:10.1039/c7nr05231f. http://hdl.handle.net/2078.1/191987

Dardenne, Nicolas; Cardia, Roberto; Li, Jing; Malloci, Giuliano; Cappellini, Giancarlo; Blase, Xavier; Charlier, Jean-Christophe; Rignanese, Gian-Marco. Tuning Optical Properties of Dibenzochrysenes by Functionalization: A Many-Body Perturbation Theory Study. In: The Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, Vol. 121, no.44, p. 24480-24488 (2017).
doi:10.1021/acs.jpcc.7b08601. http://hdl.handle.net/2078.1/189183

2016

Adjizian, Jean Joseph; Vlandas, Alexis; Rio, Jeremy; Charlier, Jean-Christophe; Ewel, Chris. Ab initio infrared vibrational modes for neutral and charged small fullerenes (C20, C24, C26, C28, C30 and C60). In: Philosophical transactions. Series A, Mathematical, physical, and engineering sciences, Vol. 374, no. -, p. – (8 August 2016).
doi:10.1098/rsta.2015.0323. http://hdl.handle.net/2078.1/181496

del Corro, Elena; Botello Mendez, Andrés Rafael; Gillet, Yannick; Elias, Ana Laura; Terrones, Humberto; Feng, Simin; Fantini, Cristiano; Rhodes, Daniel; Pradhan, Narayan; Balicas, Luis; Gonze, Xavier; Charlier, Jean-Christophe; Terrones, Mauricio; Pimenta, Marcos A.. Atypical Exciton-Phonon Interactions in WS2 and WSe2 Monolayers Revealed by Resonance Raman Spectroscopy. In: Nano Letters : a journal dedicated to nanoscience and nanotechnology, Vol. 16, no.4, p. 2363-2368 (2016).
doi:10.1021/acs.nanolett.5b05096. http://hdl.handle.net/2078.1/173451

Bonnet, Roméo; Lherbier, Aurélien; Barraud, Clément; Rocca, Maria Luisa Della; Lafarge, Philippe; Charlier, Jean-Christophe. Charge transport through one-dimensional Moiré crystals. In: Scientific Reports, Vol. 6, p. 19701 (2016).
doi:10.1038/srep19701. http://hdl.handle.net/2078.1/171476

Lian, J. X.; Lherbier, Aurélien; Wang, L. J.; Charlier, Jean-Christophe; Beljonne, D.; Olivier, Y.. Electronic Structure and Charge Transport in Nanostripped Graphene. In: The Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, Vol. 120, no.36, p. 20024-20032 (2016).
doi:10.1021/acs.jpcc.6b06265. http://hdl.handle.net/2078.1/181977

Lherbier, Aurélien; Botello Mendez, Andrés Rafael; Charlier, Jean-Christophe. Electronic and optical properties of pristine and oxidized borophene. In: 2D Materials, Vol. 3, no.4, p. 045006 (2016).
doi:10.1088/2053-1583/3/4/045006. http://hdl.handle.net/2078.1/181978

Adjizian, Jean Joseph; Lherbier, Aurélien; Dubois, Simon M-M; Botello Mendez, Andrés Rafael; Charlier, Jean-Christophe. The electronic and transport properties of two-dimensional conjugated polymer networks including disorder. In: Nanoscale, Vol. 8, no.3, p. 1642-1651 (2016).
doi:10.1039/C5NR06825H. http://hdl.handle.net/2078.1/170156

Nguyen, Viet-Hung; Hoang, Trinh X.; Dollfus, P.; Charlier, Jean-Christophe. Transport properties through graphene grain boundaries: strain effects versus lattice symmetry. In: Nanoscale, Vol. 8, no.22, p. 11658-11673 (2016).
doi:10.1039/c6nr01359g. http://hdl.handle.net/2078.1/181976

Nguyen, Viet-Hung; Dechamps, Samuel; Dollfus, P.; Charlier, Jean-Christophe. Valley Filtering and Electronic Optics Using Polycrystalline Graphene. In: Physical Review Letters, Vol. 117, no.24, p. 247702 (2016).
doi:10.1103/PhysRevLett.117.247702. http://hdl.handle.net/2078.1/181980

2015

Dardenne, Nicolas; Blase, Xavier; Hautier, Geoffroy; Charlier, Jean-Christophe; Rignanese, Gian-Marco. Ab Initio Calculations of Open-Cell Voltage in Li-Ion Organic Radical Batteries. In: The Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, Vol. 119, no.41, p. 23373-23378 (2015).
doi:10.1021/acs.jpcc.5b07886. http://hdl.handle.net/2078.1/165910

Lherbier, Aurélien; Liang, Liangbo; Charlier, Jean-Christophe; Meunier, Vincent. Charge carrier transport and separation in pristine and nitrogen-doped graphene nanowiggle heterostructures. In: Carbon, Vol. 95, no.., p. 833-842 (December 2015).
doi:10.1016/j.carbon.2015.08.111. http://hdl.handle.net/2078.1/165354

Romero Aburto, Rebeca; Alemany, Lawrence B.; Weldeghiorghis, Thomas K.; Ozden, Sehmus; Peng, Zhiwei; Lherbier, Aurélien; Botello Mendez, Andrés Rafael; Tiwary, Chandra Sekhar; Taha-Tijerina, Jaime; Yan, Zheng; Tabata, Mika; Charlier, Jean-Christophe; Tour, James M.; Ajayan, Pulickel M.. Chemical Makeup and Hydrophilic Behavior of Graphene Oxide Nanoribbons after Low-Temperature Fluorination. In: ACS Nano, Vol. 9, no.7, p. 7009-7018 (2015).
doi:10.1021/acsnano.5b01330. http://hdl.handle.net/2078.1/165350

Roche, Stephan; Ãkerman, Johan; Beschoten, Bernd; Charlier, Jean-Christophe; Chshiev, Mairbek; Prasad Dash, Saroj; Dlubak, Bruno; Fabian, Jaroslav; Fert, Albert; Guimarães, Marcos; Guinea, Francisco; Grigorieva, Irina; Schönenberger, Christian; Seneor, Pierre; Stampfer, Christoph; Valenzuela, Sergio O; Waintal, Xavier; van Wees, Bart. Graphene spintronics: the European Flagship perspective. In: 2D Materials, Vol. 2, no.3, p. 030202 (2015).
doi:10.1088/2053-1583/2/3/030202. http://hdl.handle.net/2078.1/170905

Soriano, David; Tuan, Dinh Van; Dubois, Simon M-M; Gmitra, Martin; Cummings, Aron W; Kochan, Denis; Ortmann, Frank; Charlier, Jean-Christophe; Fabian, Jaroslav; Roche, Stephan. Spin transport in hydrogenated graphene. In: 2D Materials, Vol. 2, no.2, p. 022002 (2015).
doi:10.1088/2053-1583/2/2/022002. http://hdl.handle.net/2078.1/159598

La Torre, A.; Botello Mendez, Andrés Rafael; Baaziz, W.; Charlier, Jean-Christophe; Banhart, F.. Strain-induced metal–semiconductor transition observed in atomic carbon chains. In: Nature Communications, Vol. 6, p. 6636 (2015).
doi:10.1038/ncomms7636. http://hdl.handle.net/2078.1/158554

Khalfoun, Hafid; Lherbier, Aurélien; Lambin, Philippe; Henrard, Luc; Charlier, Jean-Christophe. Transport regimes in nitrogen-doped carbon nanotubes: Perfect order, semi-random, and random disorder cases. In: Physical review. B, Condensed matter and materials physics, Vol. 91, no.3, p. 035428 (2015).
doi:10.1103/PhysRevB.91.035428. http://hdl.handle.net/2078.1/155245

Lv, Ruitao; Chen, Gugang; Li, Qing; McCreary, Amber; Botello Mendez, Andrés Rafael; Morozov, S. V.; Liang, Liangbo; Declerck, Xavier; Perea-López, Nestor; Cullen, David A.; Feng, Simin; Elías, Ana Laura; Cruz-Silva, Rodolfo; Fujisawa, Kazunori; Endo, Morinobu; Kang, Feiyu; Charlier, Jean-Christophe; Meunier, Vincent; Pan, Minghu; Harutyunyan, Avetik R.; Novoselov, Konstantin S.; Terrones, Mauricio. Ultrasensitive gas detection of large-area boron-doped graphene. In: Proceedings of the National academy of sciences of the United States of America, , p. 201505993 (2015).
doi:10.1073/pnas.1505993112. http://hdl.handle.net/2078.1/166267

de Jamblinne de Meux, Albert; Leconte, Nicolas; Charlier, Jean-Christophe; Lherbier, Aurélien. Velocity renormalization and Dirac cone multiplication in graphene superlattices with various barrier-edge geometries. In: Physical review. B, Condensed matter and materials physics, Vol. 91, no.23, p. 235139 (2015).
doi:10.1103/PhysRevB.91.235139. http://hdl.handle.net/2078.1/166433

2014

Botello Mendez, Andrés Rafael; Dubois, Simon M-M; Lherbier, Aurélien; Charlier, Jean-Christophe. Achievements of DFT for the investigation of graphene-related nanostructures. In: Accounts of Chemical Research, Vol. 47, no.11, p. 3292-3300 (2014).
doi:10.1021/ar500281v. http://hdl.handle.net/2078.1/154229

Qi, Z.J.; Rodriguez-Manzo, J.A.; Botello Mendez, Andrés Rafael; Hong, S.J.; Stach, E.A.; Park, Y.W.; Charlier, Jean-Christophe; Johnson, A.T.C.. Correlating atomic structure and transport in suspended graphene nanoribbons. In: Nano Letters : a journal dedicated to nanoscience and nanotechnology, Vol. 14, no. 8, p. 4238-4244 (2014/6/30).
doi:10.1021/nl501872x. http://hdl.handle.net/2078.1/145737

Monthioux, M.; Charlier, Jean-Christophe. Given credit where credit is due: The Stone-(Thrower)-Wales designation revisited. In: Carbon, Vol. 75, p. 1-4 (2014).
doi:10.1016/j.carbon.2014.03.054. http://hdl.handle.net/2078.1/145734

Leconte, Nicolas; Ortmann, F.; Cresti, A.; Charlier, Jean-Christophe; Roche, S.. Quantum transport in chemically functionalized graphene at high magnetic field: defect-induced critical states and breakdown of electron-hole symmetry. In: 2D Materials, Vol. 1, no. 2 (2014).
doi:10.1088/2053-1583/1/2/021001. http://hdl.handle.net/2078.1/145736

Lherbier, Aurélien; Terrones, Humberto; Charlier, Jean-Christophe. Three-dimensional massless Dirac fermions in carbon schwarzites. In: Physical review. B, Condensed matter and materials physics, Vol. 90, no.12, p. 125434 (22 September 2014).
doi:10.1103/PhysRevB.90.125434. http://hdl.handle.net/2078.1/155124

Randel, Jason C.; Niestemski, Francis C.; Botello Mendez, Andrés Rafael; Mar, Warren; Ndabashimiye, Georges; Melinte, Sorin; Dahl, Jeremy E.P.; Carlson, Robert M.K.; Butova, Ekaterina D.; Fokin, Andrey A.; Schreiner, Peter R.; Charlier, Jean-Christophe; Manoharan, Hari C.. Unconventional molecule-resolved current rectification in diamondoid-fullerene hybrids. In: Nature Communications, Vol. 5, p. 4877 (09/09/2014).
doi:10.1038/ncomms5877. http://hdl.handle.net/2078.1/150818

2013

Campos Delgado, Jessica; Botello Mendez, Andrés Rafael; Algara-Siller, Gerardo; Hackens, Benoît; Pardoen, Thomas; Kaiser, Ute; Dresselhaus, Mildred S.; Charlier, Jean-Christophe; Raskin, Jean-Pierre. CVD synthesis of mono- and few-layer graphene using alcohols at low hydrogen concentration and atmospheric pressure. In: Chemical Physics Letters, Vol. 584, p. 142-146 (2013).
doi:10.1016/j.cplett.2013.08.031. http://hdl.handle.net/2078.1/134943

Cretu, Ovidiu; Botello Mendez, Andrés Rafael; Janowska, Izabela; Pham-Huu, Cuong; Charlier, Jean-Christophe; Banhart, Florian. Electrical Transport Measured in Atomic Carbon Chains. In: Nano Letters : a journal dedicated to nanoscience and nanotechnology, Vol. 13, no. 8, p. 3487-3493 (2013).
doi:10.1021/nl4018918. http://hdl.handle.net/2078.1/139191

Lherbier, Aurélien; Botello Mendez, Andrés Rafael; Charlier, Jean-Christophe. Electronic and transport properties of unbalanced sublattice N-doping in graphene. In: Nano Letters, Vol. 13, no.4, p. 1446-1450 (2013).
doi:10.1021/nl304351z. http://hdl.handle.net/2078.1/128177

Lherbier, Aurélien; Roche, Stephan; Restrepo-Gutiérrez, Oscar Antonio; Niquet, Yann-Michel; Delcorte, Arnaud; Charlier, Jean-Christophe. Highly defective graphene: A key prototype of two-dimensional Anderson insulators. In: Nano Research, Vol. 6, p. 326-334 (2013).
doi:10.1007/s12274-013-0309-7. http://hdl.handle.net/2078.1/128185

Berkdemir, Ayse; Gutiérrez, Humberto; Botello Mendez, Andrés Rafael; Perea-Lopez, Nestor; Elias, Ana Laura; Chia, Cheng-Ing; Wang, Bei; Crespi, Vincent H.; Lopez-Urias, Florentino; Charlier, Jean-Christophe; Terrones, Humberto; Terrones, Mauricio. Identification of individual and few layers of WS2 using Raman spectroscopy. In: Scientific Reports, Vol. 3, no. 1755 (30 April 2013).
doi:10.1038/srep01755. http://hdl.handle.net/2078.1/130188

Botello Mendez, Andrés Rafael; Lherbier, Aurélien; Charlier, Jean-Christophe. Modeling electronic properties and quantum transport in doped and defective graphene. In: Solid State Communications, Vol. 175-176, p. 90-100 (2013).
doi:10.1016/j.ssc.2013.08.029. http://hdl.handle.net/2078.1/137926

Dubois, Simon M-M; Declerck, Xavier; Charlier, Jean-Christophe; Payne, M.C.. Spin filtering and magneto-resistive effect at graphene/h-BN ribbons interface. In: ACS Nano, Vol. 7, no.5, p. 4578-4585 (May 1, 2013).
doi:10.1021/nn401322t. http://hdl.handle.net/2078.1/130191

2012

Guillaume, Stéphane-Olivier; Zheng, Bing; Charlier, Jean-Christophe; Henrard, Luc. Electronic properties and STM images of doped bilayer graphene. In: Physical review. B, Condensed matter and materials physics, Vol. 85, no.035444, p. 1-6 (2012).
doi:10.1103/PhysRevB.85.035444. http://hdl.handle.net/2078/117963

Joucken, Frédéric; Tison, Yann; Lagoute, Jérôme; Cabosart, Damien; Zheng, Bing; Botello Mendez, Andrés Rafael; Charlier, Jean-Christophe. Localized state and charge transfer in nitrogen-doped graphene. In: Physical review. B, Condensed matter and materials physics, Vol. 85, no.161408, p. 1-5 (2012).
doi:10.1103/PhysRevB.85.161408. http://hdl.handle.net/2078/117958

Lv, Ruitao; Li, Qing; Botello Mendez, Andrés Rafael; Charlier, Jean-Christophe. Nitrogen-doped graphene: beyond single substitution and enhanced molecular sensing. In: Scientific Reports, Vol. 2, no. 586, p. 1-8 (August 2012).
doi:10.1038/srep00586. http://hdl.handle.net/2078/117924

Roche, Stephan; Leconte, Nicolas; Ortmann, Frank; Lherbier, Aurélien; Soriano, David; Charlier, Jean-Christophe. Quantum transport in disordered graphene: A theoretical perspective. In: Solid State Communications, Vol. 152, p. 1404-1410 (2012).
doi:10.1016/j.ssc.2012.04.030. http://hdl.handle.net/2078/117952

Zanolli, Zeila; Charlier, Jean-Christophe. Single-Molecule Sensing Using Carbon Nanotubes Decorated with Magnetic Clusters. In: ACS Nano, Vol. 6, no. 12, p. 10786–10791 (2012).
doi:10.1021/nn304111a. http://hdl.handle.net/2078/119950

Lherbier, Aurélien; Dubois, Simon M-M; Declerck, Xavier; Niquet, Yann-Michel; Roche, Stephan; Charlier, Jean-Christophe. Transport properties of graphene containing structural defects. In: Physical review. B, Condensed matter and materials physics, Vol. 86, no.075402, p. 1-18 (2012).
doi:10.1103/PhysRevB.86.075402. http://hdl.handle.net/2078/117951

2011

Savini, G.; Dappe, Y.J.; Öberg, S.; Charlier, Jean-Christophe; Katsnelson, M.I.; Fasolino, A.. Bending modes, elastic constants and mechanical stability of graphitic systems. In: Carbon, Vol. 49, p. 62-69.
doi:10.1016/j.carbon.2010.08.042. http://hdl.handle.net/2078.1/97582

Zanolli, Zeila; Leghrib, Radouane; Felten, Alexandre; Pireaux, Jean-Jacques; Llobet, Eduard; Charlier, Jean-Christophe. Gas Sensing with Au-Decorated Carbon Nanotubes. In: Acs nano, Vol. 5, no. 6, p. 4592-4599 (2011).
doi:10.1021/nn200294h. http://hdl.handle.net/2078/88954

Cheng, Daojian; Barcaro, Giovanni; Charlier, Jean-Christophe; Hou, Marc; Fortunelli, Alessandro. Homogeneous Nucleation of Graphitic Nanostructures from Carbon Chains on Ni(111). In: Journal of physical chemistry c, Vol. 115, no. 21, p. 10537-10543 (2011).
doi:10.1021/jp2028092. http://hdl.handle.net/2078/88952

Leconte, Nicolas; Soriano, David; Roche, Stephan; Ordejon, Pablo; Charlier, Jean-Christophe; Palacios, J. J.. Magnetism-Dependent Transport Phenomena in Hydrogenated Graphene: From Spin-Splitting to Localization Effects. In: Acs nano, Vol. 5, no. 5, p. 3987-3992 (2011).
doi:10.1021/nn200558d. http://hdl.handle.net/2078/89225

Soriano, David; Leconte, Nicolas; Ordejon, Pablo; Charlier, Jean-Christophe; Palacios, Juan-Jose; Roche, Stephan. Magnetoresistance and Magnetic Ordering Fingerprints in Hydrogenated Graphene. In: Physical review letters, Vol. 107, no. 1, p. 016602 (2011).
doi:10.1103/PhysRevLett.107.016602. http://hdl.handle.net/2078/88948

Perea-Lopez, Nestor; Rebollo-Plata, Bernabe; Antonio Briones-Leon, Juan; Morelos-Gomez, Aaron; Hernandez-Cruz, Daniel; Hirata, Gustavo A.; Meunier, Vincent; Botello Mendez, Andrés Rafael; Charlier, Jean-Christophe; Maruyama, Benji; Munoz-Sandoval, Emilio; Lopez-Urias, Florentino; Terrones, Mauricio; Terrones, Humberto. Millimeter-Long Carbon Nanotubes: Outstanding Electron-Emitting Sources. In: Acs nano, Vol. 5, no. 6, p. 5072-5077 (2011).
doi:10.1021/nn201149y. http://hdl.handle.net/2078/88955

Botello Mendez, Andrés Rafael; Declerck, Xavier; Terrones, M.; Terrones, H.; Charlier, Jean-Christophe. One-dimensional extended lines of divacancy-defects in Graphene. In: Nanoscale, Vol. 3, p. 2868-2872.
doi:10.1039/C0NR00820F. http://hdl.handle.net/2078.1/97591

Cruz-Silva, Eduardo; Lopez-Urias, Florentino; Munoz-Sandoval, Emilio; Sumpter, Bobby G.; Terrones, Humberto; Charlier, Jean-Christophe; Meunier, Vincent; Terrones, Mauricio. Phosphorus and phosphorus-nitrogen doped carbon nanotubes for ultrasensitive and selective molecular detection. In: Nanoscale, Vol. 3, no. 3, p. 1008-1013 (2011).
doi:10.1039/c0nr00519c. http://hdl.handle.net/2078/89227

Botello Mendez, Andrés Rafael; Cruz-Silva, Eduardo; Romo-Herrera, Jose M.; Lopez-Urias, Florentino; Terrones, Mauricio; Sumpter, Bobby G.; Terrones, Humberto; Charlier, Jean-Christophe; Meunier, Vincent. Quantum Transport in Graphene Nanonetworks. In: Nano letters, Vol. 11, no. 8, p. 3058-3064 (2011).
doi:10.1021/nl2002268. http://hdl.handle.net/2078/88842

Leconte, Nicolas; Lherbier, Aurélien; Varchon, François; Ordejon, P.; Roche, S.; Charlier, Jean-Christophe. Quantum transport in chemically modified two-dimensional graphene: From minimal conductivity to Anderson localization. In: Physical review. B, Condensed matter and materials physics, Vol. 84, no. 235420, p. 1-12 (2011).
doi:10.1103/PhysRevB.84.235420. http://hdl.handle.net/2078.1/95490

Lherbier, Aurélien; Dubois, Simon M-M; Declerck, Xavier; Roche, Stephan; Niquet, Yann-Michel; Charlier, Jean-Christophe. Two-Dimensional Graphene with Structural Defects: Elastic Mean Free Path, Minimum Conductivity, and Anderson Transition. In: Physical Review Letters, Vol. 106, no. 4, p. 046803 (2011).
doi:10.1103/PhysRevLett.106.046803. http://hdl.handle.net/2078/89226

2010

Leconte, Nicolas; Moser, Joël; Ordejón, Pablo; Tao, Haihua; Lherbier, Aurélien; Bachtold, Adrian; Alsina, Francesc; Sotomayor Torres, Clivia M; Charlier, Jean-Christophe; Roche, Stephan. Damaging graphene with ozone treatment: a chemically tunable metal-insulator transition.. In: ACS nano, no. 7, p. 4033-8 (2010). http://hdl.handle.net/2078.1/33173

Terrones, Mauricio; Botello Mendez, Andrés Rafael; Campos Delgado, Jessica; López-Urías, Florentino; Vega-Cantú, Yadira I.; Rodríguez-Macías, Fernando J.; Elías, Ana Laura; Muñoz-Sandoval, Emilio; Cano-Márquez, Abraham G.; Charlier, Jean-Christophe; Terrones, Humberto. Graphene and graphite nanoribbons: Morphology, properties, synthesis, defects and applications. In: Nano Today, Vol. 5, no. 4, p. 351-372.
doi:10.1016/j.nantod.2010.06.010. http://hdl.handle.net/2078.1/154230

Biel, Blanca; Cresti, Alessandro; Avriller, Remi; Dubois, Simon M-M; Charlier, Jean-Christophe. Mobility gaps in disordered graphene‐based materials: an ab initio‐based tight‐binding approach to mesoscopic transport. In: Physica Status Solidi. C: Current Topics in Solid State Physics, Vol. 7, no. 11–12, p. 2628-2631 (2010).
doi:10.1002/pssc.200983826. http://hdl.handle.net/2078.1/154850

Zanolli, Zeila; Onida, Giovanni; Charlier, Jean-Christophe. Quantum Spin Transport in Carbon Chains.. In: ACS Nano, Vol. 4, no. 9, p. 5174-5180 (2010).
doi:10.1021/nn100712q. http://hdl.handle.net/2078.1/33205

Dubois, Simon M-M; Lopez-Bezanilla, Alejandro; Cresti, Alessandro; Triozon, François; Biel, Blanca; Roche, Stephan; Charlier, Jean-Christophe. Quantum Transport in Graphene Nanoribbons: Effects of Edge Reconstruction and Chemical Reactivity.. In: ACS nano, Vol. 4, no. 4, p. 1971-6 (2010).
doi:10.1021/nn100028q. http://hdl.handle.net/2078.1/31313

Zanolli, Zeila; Charlier, Jean-Christophe. Spin transport in carbon nanotubes with magnetic vacancy-defects. In: Physical review. B, Condensed matter and materials physics, Vol. 81, no. 16, p. 165406 (2010).
doi:10.1103/PhysRevB.81.165406. http://hdl.handle.net/2078.1/33902

2009

Charlier, Jean-Christophe; Arnaud, L.; Avilov, I V; Delgado, M.; Demoisson, F; Espinosa, E H; Ewels, C P; Felten, Alexandre; Guillot, J; Ionescu, R; Leghrib, R; Llobet, E; Mansour, A; Migeon, H-N; Pireaux, Jean-Jacques; Reniers, F; Suarez-Martinez, I; Watson, G E; Zanolli, Zeila. Carbon nanotubes randomly decorated with gold clusters: from nano2hybrid atomic structures to gas sensing prototypes.. In: Nanotechnology, Vol. 20, no. 37, p. 375501 (2009).
doi:10.1088/0957-4484/20/37/375501. http://hdl.handle.net/2078.1/23839

Zanolli, Zeila; Charlier, Jean-Christophe. Defective carbon nanotubes for single-molecule sensing. In: Physical review. B, Condensed matter and materials physics, Vol. 80, no. 15, p. 155447 (2009).
doi:10.1103/PhysRevB.80.155447. http://hdl.handle.net/2078.1/35195

Moors, Matthieu; Amara, Hakim; Visart de Bocarmé, Thierry; Bichara, Christophe; Ducastelle, François; Kruse, Norbert; Charlier, Jean-Christophe. Early Stages in the Nucleation Process of Carbon Nanotubes.. In: ACS nano, Vol. 3, no. 3, p. 511-6 (2009).
doi:10.1021/nn800769w. http://hdl.handle.net/2078.1/21464

Cruz-Silva, Eduardo; Lopez-Urias, Florentino; Munoz-Sandoval, Emilio; Sumpter, Bobby G.; Terrones, Humberto; Charlier, Jean-Christophe; Meunier, Vincent; Terrones, Mauricio. Electronic Transport and Mechanical Properties of Phosphorus- and Phosphorus-Nitrogen-Doped Carbon Nanotubes. In: ACS Nano, Vol. 3, no. 7, p. 1913-1921 (2009).
doi:10.1021/nn900286h. http://hdl.handle.net/2078.1/35452

Dubois, Simon M-M; Zanolli, Zeila; Declerck, Xavier; Charlier, Jean-Christophe. Electronic properties and quantum transport in Graphene-based nanostructures. In: European Physical Journal B. Condensed Matter and Complex Systems, Vol. 72, no. 1, p. 1-24 (2009).
doi:10.1140/epjb/e2009-00327-8. http://hdl.handle.net/2078.1/35187

2008

Terrones, Mauricio; Charlier, Jean-Christophe; Gloter, A; Cruz-Silva, E.; Terrés, E; Li, Y.; Vinu, A; Zanolli, Zeila; Dominguez, J; Terrones, Humberto; Bando, Y; Golberg, D. Experimental and Theoretical Studies Suggesting the Possibility of Metallic Boron Nitride Edges in Porous Nanourchins.. In: Nano letters, Vol. 8, no. 4, p. 1026-32 (2008).
doi:10.1021/nl072713m. http://hdl.handle.net/2078.1/11320

Cruz-Silva, Eduardo; Cullen, David A.; Gu, Lin; Romo-Herrera, Jose Manuel; Munoz-Sandoval, Emilio; Lopez-Urias, Florentino; Sumpter, Bobby G.; Meunier, Vincent; Charlier, Jean-Christophe; Smith, David J.; Terrones, Humberto; Terrones, Mauricio. Heterodoped nanotubes: Theory, synthesis, and characterization of phosphorus-nitrogen doped multiwalled carbon nanotubes. In: ACS Nano, Vol. 2, no. 3, p. 441-448 (2008).
doi:10.1021/nn700330w. http://hdl.handle.net/2078.1/36728

Rignanese, Gian-Marco; Charlier, Jean-Christophe. Hypothetical three-dimensional all-sp2 carbon phase. In: Physical Review B, Vol. 78, no. 12, p. 125415 (2008).
doi:10.1103/PhysRevB.78.125415. http://hdl.handle.net/2078.1/36343

Charlier, Jean-Christophe. Quantum transport in carbon nanostructures. In: Quantum transport in carbon nanostructures. http://hdl.handle.net/2078.1/94701

2007

Charlier, Jean-Christophe; Amara, H.; Lambin, Philippe. Catalytically assisted tip growth mechanism for single-wall carbon nanotubes.. In: ACS nano, Vol. 1, no. 3, p. 202-7 (2007).
doi:10.1021/nn700049q. http://hdl.handle.net/2078.1/22152

Charlier, Jean-Christophe; Blase, Xavier; Roche, Stephan. Electronic and transport properties of nanotubes. In: Reviews of Modern Physics, Vol. 79, p. 677-732 (2007).
doi:10.1103/RevModPhys.79.677. http://hdl.handle.net/2078/31167

Ewels, Christopher P.; Van Lier, Gregory; Geerlings, Paul; Charlier, Jean-Christophe. Meta-code for systematic analysis of chemical addition (SACHA): Application to fluorination of C-70 and carbon nanostructure growth. In: Journal of Chemical Information and Modeling, Vol. 47, no. 6, p. 2208-2215 (2007).
doi:10.1021/6700121z. http://hdl.handle.net/2078.1/37193

Charlier, Jean-Christophe. Quantum transport in carbon nanotubes : effects of doping, defects and randomly physisorbed molecules. In: Nano-newsletter, p. 12-15 (2007). http://hdl.handle.net/2078.1/94706

Amara, H.; Latil, S.; Meunier, V.; Lambin, Philippe; Charlier, Jean-Christophe. Scanning tunneling microscopy fingerprints of point defects in graphene: A theoretical prediction. In: Physical review. B, Condensed matter and materials physics, Vol. 76, no. 11, p. 115423 (2007).
doi:10.1103/PhysRevB.76.115423. http://hdl.handle.net/2078.1/38032

2006

Dubois, Simon M-M; Rignanese, Gian-Marco; Pardoen, Thomas; Charlier, Jean-Christophe. Ideal strength of silicon: An ab initio study. In: Physical review B. Condensed matter and materials physics, Vol. 74, no. 23, p. 235203 (2006).
doi:10.1103/PhysRevB.74.235203. http://hdl.handle.net/2078.1/37859

Charlier, Jean-Christophe. La physique dans le nanomonde. In: Louvain / Université catholique de Louvain, no. 163, p. 15-17. http://hdl.handle.net/2078.1/94711

Ionescu, R; Espinosa, EH; Sotter, E; Llobet, E; Vilanova, X.; Correig, X.; Felten, Alexandre; Bittencourt, Carla; Van Lier, Gregory; Charlier, Jean-Christophe; Pireaux, Jean-Jacques. Oxygen functionalisation of MWNT and their use as gas sensitive thick-film layers. In: Sensors and Actuators B: Chemical : international journal devoted to research and development of physical and chemical transducers, Vol. 113, no. 1, p. 36-46 (2006).
doi:10.1016/j.snb.2005.02.020. http://hdl.handle.net/2078.1/38887

Ewels, CP; Van Lier, Gregory; Charlier, Jean-Christophe; Heggie, MI; Briddon, PR. Pattern formation on carbon nanotube surfaces. In: Physical Review Letters, Vol. 96, no. 21, p. 216103 (2006).
doi:10.1103/PhysRevLett.96.216103. http://hdl.handle.net/2078.1/38443

Fantini, C; Cruz, E; Jorio, A; Terrones, Mauricio; Terrones, Humberto; Van Lier, Gregory; Charlier, Jean-Christophe; Dresselhaus, MS.; Saito, R; Kim, YA; Hayashi, T; Muramatsu, H; Endo, M.; Pimenta, MA. Resonance Raman study of linear carbon chains formed by the heat treatment of double-wall carbon nanotubes. In: Physical review. B, Condensed matter and materials physics, Vol. 73, no. 19, p. 193408 (2006).
doi:10.1103/PhysRevB.73.193408. http://hdl.handle.net/2078.1/38444

Loiseau, A.; Blase, X.; Charlier, Jean-Christophe; Gadelle, P.; Journet, C.; Laurent, Ch.; Peigney, A.. Synthesis Methods and Growth mechanisms. In: Lecture Notes in Physics, Vol. 677, no. 2006, p. 49-130 (2006).
doi:10.1007/3-540-37586-4_2. http://hdl.handle.net/2078.1/94409

2005

Tournus, F; Charlier, Jean-Christophe. Ab initio study of benzene adsorption on carbon nanotubes. In: Physical review. B, Condensed matter and materials physics, Vol. 71, no. 16, p. 165421 (2005).
doi:10.1103/PhysRevB.71.165421. http://hdl.handle.net/2078.1/39381

Endo, M.; Muramatsu, H; Hayashi, T; Kim, YA; Van Lier, Gregory; Charlier, Jean-Christophe; Terrones, Humberto; Terrones, Mauricio; Dresselhaus, MS.. Atomic nanotube welders: Boron interstitials triggering connections in double-walled carbon nanotubes. In: Nano Letters : a journal dedicated to nanoscience and nanotechnology, Vol. 5, no. 6, p. 1099-1105 (2005).
doi:10.1021/nl050627l. http://hdl.handle.net/2078.1/39303

Okuno, H; Issi, JP.; Charlier, Jean-Christophe. Catalyst assisted synthesis of carbon nanotubes using the oxy-acetylene combustion flame method. In: Carbon, Vol. 43, no. 4, p. 864-866 (2005).
doi:10.1016/j.carbon.2004.10.041. http://hdl.handle.net/2078.1/39518

Latil, S.; Roche, S; Charlier, Jean-Christophe. Electronic transport in carbon nanotubes with random coverage of physisorbed molecules. In: Nano Letters : a journal dedicated to nanoscience and nanotechnology, Vol. 5, no. 11, p. 2216-2219 (2005).
doi:10.1021/nl0514386. http://hdl.handle.net/2078.1/38971

Tournus, F; Charlier, Jean-Christophe; Melinon, P. Mutual orientation of two C-60 molecules: An ab initio study. In: Journal of Chemical Physics, Vol. 122, no. 9 (2005).
doi:10.1063/1.1855884. http://hdl.handle.net/2078.1/39502

Fulcheri, L.; Gruenberger, T.M.; Gonzalez-Aguilar, J.; Fabry, F.; Grivei, E.; Probst, N.; Flamant, G.; Okuno, H.; Charlier, Jean-Christophe. Plasma processing of carbon materials. In: Catalyst Preparation Handbook, . http://hdl.handle.net/2078.1/145244

Felten, Alexandre; Bittencourt, C.; Pireaux, Jean-Jacques; Van Lier, G.; Charlier, Jean-Christophe. RF-Plasma functionalisation of the carbon nanotube surface: O2, NH3, CF4 treatment. In: Journal of Applied Physics, Vol. 98, p. 074308 (2005).
doi:10.1063/1.2071455. http://hdl.handle.net/2078.1/113009

Biro, L.P.; Mark, G.I.; Koos, A.A.; Horvath, Z.E.; Charlier, Jean-Christophe. Regularly curved carbon nanotubes. In: Fullerenes, Nanotubes, and Carbon Nanostructures, Vol. 13, no. S1, p. 523-533 (2005).
doi:10.1081/FST-200039482. http://hdl.handle.net/2078.1/113008

Connetable, D; Rignanese, Gian-Marco; Charlier, Jean-Christophe; Blase, X. Room temperature Peierls distortion in small diameter nanotubes. In: Physical Review Letters, Vol. 94, no. 1 (2005).
doi:10.1103/PhysRevLett.94.015503. http://hdl.handle.net/2078.1/39602

Okuno, H; Palnichenko, A; Despres, JF.; Issi, JP.; Charlier, Jean-Christophe. Synthesis of graphite polyhedral crystals using a combustion flame method. In: Carbon, Vol. 43, no. 4, p. 692-697 (2005).
doi:10.1016/j.carbon.2004.10.033. http://hdl.handle.net/2078.1/39517

Gruenberger, T.M.; Gonzalez-Aguilar, J.; Fulcheri, L.; Okuno, Hanako; Charlier, Jean-Christophe. Tailor-made carbon nanomaterials for bulk applications via high-intensity arc plasma. In: Fullerenes, Nanotubes, and Carbon Nanostructures, Vol. 13, no. S1, p. 67-75 (2005).
doi:10.1081/FST-200039210. http://hdl.handle.net/2078.1/113007

Van Lier, Gregory; Ewels, Christopher P.; Zuliani, Filippo; De Vita, Allesandro; Charlier, Jean-Christophe. Theoretical analysis of fluorine addition to single-walled carbon nanotubes: functionalization routes and addition patterns.. In: The journal of physical chemistry. B, Vol. 109, no. 13, p. 6153-8 (2005).
doi:10.1021/jp046005q. http://hdl.handle.net/2078.1/10652

Verstraete, MJ; Charlier, Jean-Christophe. Why is iridium the best substrate for single crystal diamond growth?. In: Applied Physics Letters, Vol. 86, no. 19, p. 191917 (2005).
doi:10.1063/1.1922571. http://hdl.handle.net/2078.1/39311

Tournus, F; Latil, S.; Heggie, MI; Charlier, Jean-Christophe. pi-stacking interaction between carbon nanotubes and organic molecules. In: Physical review. B, Condensed matter and materials physics, Vol. 72, no. 7, p. 075431 (2005).
doi:10.1103/PhysRevB.72.075431. http://hdl.handle.net/2078.1/39143

2004

Breton, Y; Fleurier, R; Salvetat, JP; Thomann, AL; Verstraete, Matthieu J.; Charlier, Jean-Christophe. Catalyst consumption during growth of carbon nanofilaments on Pd seeds. In: Applied Physics Letters, Vol. 85, no. 22, p. 5376-5378 (2004).
doi:10.1063/1.1829381. http://hdl.handle.net/2078.1/39687

Dresselhaus, MS.; Dresselhaus, G.; Charlier, Jean-Christophe; Hernandez, E. Electronic, thermal and mechanical properties of carbon nanotubes. In: Royal Society of London. Philosophical Transactions. Mathematical, Physical and Engineering Sciences, Vol. 362, no. 1823, p. 2065-2098 (2004).
doi:10.1098/rsta.2004.1430. http://hdl.handle.net/2078.1/39920

Rignanese, Gian-Marco; Charlier, Jean-Christophe; Gonze, Xavier. First-principles molecular-dynamics investigation of the hydration mechanisms of the (0001) alpha-quartz surface. In: Physical Chemistry Chemical Physics, Vol. 6, no. 8, p. 1920-1925 (2004).
doi:10.1039/b311842h. http://hdl.handle.net/2078.1/61289

Rocquefelte, X; Rignanese, Gian-Marco; Meunier, V.; Terrones, Humberto; Terrones, Mauricio; Charlier, Jean-Christophe. How to identify Haeckelite structures: A theoretical study of their electronic and vibrational properties. In: Nano Letters, Vol. 4, no. 5, p. 805-810 (2004).
doi:10.1021/nl049879x. http://hdl.handle.net/2078.1/40191

Latil, Sylvain; Roche, Stephan; Mayou, Didier; Charlier, Jean-Christophe. Mesoscopic transport in chemically doped carbon nanotubes.. In: Physical Review Letters, Vol. 92, no. 25 Pt 1, p. 256805 (2004).
doi:10.1103/PhysRevLett.92.256805. http://hdl.handle.net/2078.1/9895

Terrones, M.; Jorio, A.; Rao, A.M.; Kim, Y.A.; Hayashi, T.; Terrones, H.; Charlier, Jean-Christophe; Dresselhaus, G.; Dresselhaus, M.S.. New direction in nanotube science. In: Materials Today, , p. 30-45 (October 2004). http://hdl.handle.net/2078.1/145254

Fulcheri, L.; Gruenberger, T.M.; Gonzalez-Aguilar, J.; Okuno, Hanako; Charlier, Jean-Christophe. Plasma processing of carbon nanomaterials. In: High Temperature Materials and Processes, Vol. 8, p. 119-138 (2004).
doi:10.1615/HighTempMatProc.v8.i1. http://hdl.handle.net/2078.1/112996

Gruenberger, T.M.; Gonzalez-Aguilar, J.; Fabry, F.; Okuno, Hanako; Charlier, Jean-Christophe. Production of carbon nanotubes and other nanostructures via continuous 3-phase AC plasma processing. In: Fullerenes, Nanotubes, and Carbon Nanostructures, Vol. 12, no. 3, p. 571-581 (2004).
doi:10.1081/FST-200026940. http://hdl.handle.net/2078.1/112994

Palnichenko, AV; Mátéfi-Tempfli, Maria-Rita; Mátéfi-Tempfli, Stefan; Issi, JP.; Piraux, Luc; Charlier, Jean-Christophe. Selective formation of diamond-like carbon coating by surface catalyst patterning. In: Carbon, Vol. 42, no. 8-9, p. 1879-1882 (2004).
doi:10.1016/j.carbon.2004.03.004.. http://hdl.handle.net/2078.1/40148

Okuno, H; Grivei, E.; Fabry, F; Gruenberger, TM; Gonzalez-Aguilar, J; Palnichenko, A; Fulcheri, L; Probst, N.; Charlier, Jean-Christophe. Synthesis of carbon nanotubes and nano-necklaces by thermal plasma process. In: Carbon, Vol. 42, no. 12-13, p. 2543-2549 (2004).
doi:10.1016/j.carbon.2004.05.037. http://hdl.handle.net/2078.1/39999

Yoon, M; Han, SW; Kim, G; Lee, SB; Berber, S; Osawa, E; Ihm, J; Terrones, Mauricio; Banhart, F.; Charlier, Jean-Christophe; Grobert, N.; Terrones, Humberto; Ajayan, P.M.; Tomanek, D. Zipper mechanism of nanotube fusion: Theory and experiment. In: Physical Review Letters, Vol. 92, no. 7 (2004).
doi:10.1103/PhysRevLett.92.075504. http://hdl.handle.net/2078.1/40250

2003

Verstraete, Matthieu J.; Charlier, Jean-Christophe. Ab initio study of MoS2 nanotube bundles. In: Physical review. B, Condensed matter and materials physics, Vol. 68, no. 4 (2003).
doi:10.1103/PhysRevB.68.045423. http://hdl.handle.net/2078.1/40791

Charlier, Jean-Christophe; Terrones, M.; Banhart, F.; Grobert, N.; Terrones, H.; Ajayan, P.M.. Experimental observation and quantum modeling of electron irradiation on single-wall nanotubes. In: IEEE Transactions on Nanotechnology, Vol. 2, no. 4, p. 349-354 (2003).
doi:10.1109/TNANO.2003.820519. http://hdl.handle.net/2078/112993

Hernandez, E; Meunier, V.; Smith, BW; Rurali, R; Terrones, Humberto; Nardelli, MB; Terrones, Mauricio; Luzzi, DE; Charlier, Jean-Christophe. Fullerene coalescence in nanopeapods: A path to novel tubular carbon. In: Nano Letters : a journal dedicated to nanoscience and nanotechnology, Vol. 3, no. 8, p. 1037-1042 (2003).
doi:10.1021/nl034283f. http://hdl.handle.net/2078.1/40835

Choi, YM; Lee, DS; Czerw, R; Chiu, PW; Grobert, N.; Terrones, Mauricio; Reyes-Reyes, M; Terrones, Humberto; Charlier, Jean-Christophe; Ajayan, P.M.; Roth, S; Carroll, DL; Park, YW. Nonlinear behavior in the thermopower of doped carbon nanotubes due to strong, localized states. In: Nano Letters : a journal dedicated to nanoscience and nanotechnology, Vol. 3, no. 6, p. 839-842 (2003).
doi:10.1021/nl034161n. http://hdl.handle.net/2078.1/40958

Meunier, Vincent; Buongiorno Nardelli, Marco; Berhnolc, J.; Zacharia, Thomas; Charlier, Jean-Christophe. Response to « Comment on Intrinsic electronic transport properties of carbon nanotube Y-junctions » (APL83-1074-2003). In: Applied Physics Letters, Vol. 83, no. 8, p. 1076-1077 (2003).
doi:10.1063/1.1604949. http://hdl.handle.net/2078/112991

2002

Charlier, Jean-Christophe. Defects in carbon nanotubes.. In: Accounts of chemical research, Vol. 35, no. 12, p. 1063-9 (2002).
doi:10.1021/ar010166k. http://hdl.handle.net/2078.1/23998

Terrones, Mauricio; Terrones, Mauricio; Terrones, Humberto; Ajayan, P.M.; Banhart, F.; Blase, X; Carroll, DL; Czerw, R; Foley, B; Foley, B; Charlier, Jean-Christophe; Kamalakaran, R; Kohler-Redlich, PH; Ruhle, M; Seeger, T; Grobert, N.. Doping and connecting carbon nanotubes. In: Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, Vol. 387, p. 275-286 (2002).
doi:10.1080/10587250215249. http://hdl.handle.net/2078.1/41342

Charlier, Jean-Christophe; Terrones, Mauricio; Baxendale, M; Meunier, V.; Zacharia, T; Rupesinghe, NL; Hsu, WK; Grobert, N.; Terrones, Humberto; Amaratunga, GAJ. Enhanced electron field emission in B-doped carbon nanotubes. In: Nano Letters : a journal dedicated to nanoscience and nanotechnology, Vol. 2, no. 11, p. 1191-1195 (2002).
doi:10.1021/nl0256457. http://hdl.handle.net/2078.1/41520

Rignanese, Gian-Marco; Charlier, Jean-Christophe; Gonze, Xavier. First-principles study of vibrational and dielectric properties of C3N4 polymorphs. In: Physical Review B, Vol. 66, no. 20, p. 205416 (2002).
doi:10.1103/PhysRevB.66.205416. http://hdl.handle.net/2078.1/41339

Meunier, Vincent; Buongiorno Nardelli, Marco; Berhnolc, J.; Zacharia, Thomas; Charlier, Jean-Christophe. Intrinsic electronic transport properties of carbon nanotube Y-junctions. In: Applied Physics Letters, Vol. 81, p. 5234-5236 (2002).
doi:10.1063/1.1533842. http://hdl.handle.net/2078.1/112989

Gavillet, J; Loiseau, Anne-Françoise; Ducastelle, F.; Thair, S; Bernier, P; Stephan, O; Thibault, J.; Charlier, Jean-Christophe. Microscopic mechanisms for the catalyst assisted growth of single-wall carbon nanotubes. In: Carbon, Vol. 40, no. 10, p. 1649-1663 (2002).
doi:10.1016/S0008-6223(02)00007-6. http://hdl.handle.net/2078.1/41746

Terrones, M.; Banhart, F.; Grobert, N.; Charlier, Jean-Christophe; Terrones, H.; Ajayan, P.M.. Molecular Junctions by Joining Single-Walled Carbon Nanotubes. In: Physical Review Letters, Vol. 89, p. 075505 (2002).
doi:10.1103/PhysRevLett.89.075505. http://hdl.handle.net/2078/30875

Terrones, Mauricio; Ajayan, P.M.; Banhart, F.; Blase, X; Carroll, DL; Charlier, Jean-Christophe; Czerw, R; Foley, B; Grobert, N.; Kamalakaran, R; Kohler-Redlich, P; Ruhle, M; Seeger, T; Terrones, Humberto. N-doping and coalescence of carbon nanotubes: synthesis and electronic properties. In: Applied Physics A : materials science & processing, Vol. 74, no. 3, p. 355-361 (2002).
doi:10.1007/s003390201278. http://hdl.handle.net/2078.1/42075

Charlier, Jean-Christophe. Topology and electronic properties of carbon nanotubes. In: Acta Technica Belgica. Revue H F: Electricite Courants Faibles. Electronique Telecommunications, , no. 3, p. 27-35 (2002). http://hdl.handle.net/2078.1/66229

Charlier, Jean-Christophe. Topology and electronic properties of carbon nanotubes. In: Revue HYPERFREQUENCE Tijdschrift, , no.3/2002 (2002). http://hdl.handle.net/2078.1/145270

Terrones, Mauricio; Charlier, Jean-Christophe; Banhart, F.; Grobert, N.; Terrones, Humberto; Ajayan, P.M.. Towards nanodevice fabrication: Joining and connecting single-walled carbon nanotubes. In: New Diamond and Frontier Carbon Technology : an international journal on newdiamond, frontier carbon and related materials, Vol. 12, no. 5, p. 315-323 (2002). http://hdl.handle.net/2078.1/41538

2001

Charlier, Jean-Christophe; Rignanese, Gian-Marco. Electronic structure of carbon nanocones.. In: Physical Review Letters, Vol. 86, no. 26, p. 5970-5973 (2001).
doi:10.1103/PhysRevLett.86.5970. http://hdl.handle.net/2078.1/8866

Charlier, Jean-Christophe; Iijima, S. Growth mechanisms of carbon nanotubes. In: Topics in Applied Physics, Vol. 80, p. 55-80 (2001).
doi:10.1007/3-540-39947-X_4. http://hdl.handle.net/2078.1/42611

Czerw, R; Terrones, Mauricio; Charlier, Jean-Christophe; Blase, X; Foley, B; Kamalakaran, R; Grobert, N.; Terrones, Humberto; Tekleab, D; Ajayan, P.M.; Blau, W; Ruhle, M; Carroll, DL. Identification of electron donor states in N-doped carbon nanotubes. In: Nano Letters : a journal dedicated to nanoscience and nanotechnology, Vol. 1, no. 9, p. 457-460 (2001).
doi:10.1021/nl015549q. http://hdl.handle.net/2078.1/42162

Banhart, F.; Grobert, N.; Terrones, Mauricio; Charlier, Jean-Christophe; Ajayan, P.M.. Metal atoms in carbon nanotubes and related nanoparticles. In: International Journal of Modern Physics B : condensed matter physics; statistical physics; applied physics, Vol. 15, no. 31, p. 4037-4069 (2001).
doi:10.1142/S0217979201007944. http://hdl.handle.net/2078.1/42181

Gavillet, J; Loiseau, Anne-Françoise; Journet, C; Willaime, F; Ducastelle, F.; Charlier, Jean-Christophe. Root-growth mechanism for single-wall carbon nanotubes. In: Physical Review Letters, Vol. 87, no. 27 (2001).
doi:10.1103/PhysRevLett.87.275504. http://hdl.handle.net/2078.1/42234

2000

Terrones, Mauricio; Terrones, Humberto; Banhart, F.; Charlier, Jean-Christophe; Ajayan, P.M.. Coalescence of single-walled carbon nanotubes. In: Science, Vol. 288, no. 5469, p. 1226-1229 (2000).
doi:10.1126/science.288.5469.1226. http://hdl.handle.net/2078.1/43547

Stirling, Andras; Pasquarello, Alfredo; Charlier, Jean-Christophe; Car, Roberto. Dangling bond defects at Si-SiO2 interfaces : atomic structure of the Pb1 center. In: Physical Review Letters, Vol. 85, p. 2773-2776 (2000).
doi:10.1103/PhysRevLett.85.2773. http://hdl.handle.net/2078.1/112879

Banhart, F.; Charlier, Jean-Christophe; Ajayan, P.M.. Dynamic behavior of nickel atoms in graphitic networks. In: Physical Review Letters, Vol. 84, no. 4, p. 686-689 (2000).
doi:10.1103/PhysRevLett.84.686. http://hdl.handle.net/2078.1/43770

Rignanese, Gian-Marco; De Vita, A; Charlier, Jean-Christophe; Gonze, Xavier; Car, R. First-principles molecular-dynamics study of the (0001) alpha-quartz surface. In: Physical Review B, Vol. 61, no. 19, p. 13250-13255 (2000).
doi:10.1103/PhysRevB.61.13250. http://hdl.handle.net/2078.1/43527

Benyoub, Sadia; Beuken, Jean-Michel; Charlier, Jean-Christophe; Minet, Jean-Paul; Issi, Jean-Paul. Growth and agglomeration of carbon materials under microgravity conditions. In: Space Scientific Research in Belgium, Microgravity 1994-2000, Vol. 1, p. 35-50 (2000). http://hdl.handle.net/2078.1/145273

Terrones, Humberto; Terrones, Mauricio; Hernandez, E; Grobert, N.; Charlier, Jean-Christophe; Ajayan, P.M.. New metallic allotropes of planar and tubular carbon. In: Physical Review Letters, Vol. 84, no. 8, p. 1716-1719 (2000).
doi:10.1103/PhysRevLett.84.1716. http://hdl.handle.net/2078.1/43715

1999

Blase, X; Charlier, Jean-Christophe; De Vita, A; Car, R; Redlich, P; Terrones, Mauricio; Hsu, WK; Terrones, Humberto; Carroll, DL; Ajayan, P.M.. Boron-mediated growth of long helicity-selected carbon nanotubes. In: Physical Review Letters, Vol. 83, no. 24, p. 5078-5081 (1999).
doi:10.1103/PhysRevLett.83.5078. http://hdl.handle.net/2078.1/44008

Palnichenko, AV; Jonas, Alain M.; Charlier, Jean-Christophe; Aronin, AS; Issi, JP.. Diamond formation by thermal activation of graphite. In: Nature : international weekly journal of science, Vol. 402, no. 6758, p. 162-165 (1999).
doi:10.1038/46000. http://hdl.handle.net/2078.1/44061

De Vita, A; Charlier, Jean-Christophe; Blase, X; Car, R. Electronic structure at carbon nanotube tips. In: Applied Physics A : materials science & processing, Vol. 68, no. 3, p. 283-286 (1999).
doi:10.1007/s003390050889. http://hdl.handle.net/2078.1/44603

Charlier, Jean-Christophe; Blase, X; De Vita, A; Car, R. Microscopic growth mechanisms for carbon and boron-nitride nanotubes. In: Applied Physics A : materials science & processing, Vol. 68, no. 3, p. 267-273 (1999).
doi:10.1007/s003390050887. http://hdl.handle.net/2078.1/44602

Blase, X; Charlier, Jean-Christophe; De Vita, A; Car, R. Structural and electronic properties of composite BxCyNz nanotubes and heterojunctions. In: Applied Physics A : materials science & processing, Vol. 68, no. 3, p. 293-300 (1999).
doi:10.1007/s003390050891. http://hdl.handle.net/2078.1/44604

Charlier, Jean-Christophe. Tiny pipes with a big future. In: Science Spectra, Vol. 17, p. 64-69 (1999). http://hdl.handle.net/2078.1/145288

1998

Charlier, Jean-Christophe; Gonze, Xavier; Peeters, D.. Des Molécules aux Matériaux. In: Louvain, , no.91, p. 22-25 (1998). http://hdl.handle.net/2078.1/145293

Carroll, DL; Redlich, P; Blase, X; Charlier, Jean-Christophe; Curran, S; Ajayan, P.M.; Roth, S; Ruhle, M. Effects of nanodomain formation on the electronic structure of doped carbon nanotubes. In: Physical Review Letters, Vol. 81, no. 11, p. 2332-2335 (1998).
doi:10.1103/PhysRevLett.81.2332. http://hdl.handle.net/2078.1/45076

Charlier, Jean-Christophe; Issi, JP.. Electronic structure and quantum transport in carbon nanotubes. In: Applied Physics A : materials science & processing, Vol. 67, no. 1, p. 79-87 (1998).
doi:10.1007/s003390050741. http://hdl.handle.net/2078.1/45222

Charlier, Jean-Christophe; Lambin, Philippe. Electronic structure of carbon nanotubes with chiral symmetry. In: Physical review. B, Condensed matter and materials physics, Vol. 57, no. 24, p. 15037-15039 (1998).
doi:10.1103/PhysRevB.57.R15037. http://hdl.handle.net/2078.1/45701

Blase, X; De Vita, A; Charlier, Jean-Christophe; Car, R. Frustration effects and microscopic growth mechanisms for BN nanotubes. In: Physical Review Letters, Vol. 80, no. 8, p. 1666-1669 (1998).
doi:10.1103/PhysRevLett.80.1666. http://hdl.handle.net/2078.1/45477

Charlier, Jean-Christophe. Morphologies and related electronic properties of carbon nanotubes. In: Journal of Materials Research, Vol. 13, no. 9, p. 2368-2379 (1998). ¶
doi:10.1557/JMR.1998.0330. http://hdl.handle.net/2078.1/45111

Ajayan, P.M.; Ravikumar, V; Charlier, Jean-Christophe. Surface reconstructions and dimensional changes in single-walled carbon nanotubes. In: Physical Review Letters, Vol. 81, no. 7, p. 1437-1440 (1998).

doi:10.1103/PhysRevLett.81.1437. http://hdl.handle.net/2078.1/45130

1997

Carroll, D.L.; Kinlen, P.; Raman, S.; Redlich, Ph.; Rühle, M.; Blase, X.; Charlier, Jean-Christophe; Curran, S.; Roth, S.; Ajayan, P.M.. Boron-doped nanotubes density of states from tunneling spectroscopy. In: Molecular Nanostructures, p. 477-481 (1997). http://hdl.handle.net/2078.1/145455

Lambin, Ph.; Lucas, A. A.; Charlier, Jean-Christophe. Electronic properties of carbon nanotubes containing defects. In: Journal of Physics and Chemistry of Solids, Vol. 58, no. 11, p. 1833-1837 (1997).

doi:10.1016/S0022-3697(97)00095-4. http://hdl.handle.net/2078.1/112877

Carroll, DL; Redlich, P; Ajayan, P.M.; Charlier, Jean-Christophe; Blase, X; DeVita, A; Car, R. Electronic structure and localized states at carbon nanotube tips. In: Physical Review Letters, Vol. 78, no. 14, p. 2811-2814 (1997).
doi:10.1103/PhysRevLett.78.2811. http://hdl.handle.net/2078.1/46360

Charlier, Jean-Christophe; DeVita, A; Blase, X; Car, R. Microscopic growth mechanisms for carbon nanotubes. In: Science, Vol. 275, no. 5300, p. 646-649 (1997).
doi:10.1126/science.275.5300.647. http://hdl.handle.net/2078.1/46534

Rignanese, Gian-Marco; Pasquarello, A; Charlier, Jean-Christophe; Gonze, Xavier; Car, R. Nitrogen incorporation at Si(001)-SiO2 interfaces: Relation between N 1s core-level shifts and microscopic structure. In: Physical Review Letters, Vol. 79, no. 25, p. 5174-5177 (1997).
doi:10.1103/PhysRevLett.79.5174. http://hdl.handle.net/2078.1/45571

Blase, X.; Charlier, Jean-Christophe; De Vita, A.; Car, R.. Theoretical study of composite BxCyNz nanotube heterojunctions. In: Applied Physics Letters, Vol. 70, no. 2, p. 197-199 (1997). http://hdl.handle.net/2078.1/112875

Blase, X; Charlier, Jean-Christophe; DeVita, A; Car, R. Theory of composite BxCyNz nanotube heterojunctions. In: Applied Physics Letters, Vol. 70, no. 2, p. 197-199 (1997).
doi:10.1063/1.118354. http://hdl.handle.net/2078.1/46551

1996

Charlier, Jean-Christophe; Issi, Jean-Paul. Electrical conductivity of novel forms of carbon. In: Journal of Physics and Chemistry of Solids, Vol. 57, p. 957-965 (1996). http://hdl.handle.net/2078.1/112867

Charlier, Jean-Christophe; Lambin, Philippe; Ebbesen, TW. Electronic properties of carbon nanotubes with polygonized cross sections. In: Physical Review. B, Condensed Matter, Vol. 54, no. 12, p. R8377-R8380 (1996).
doi:10.1103/PhysRevB.54.R8377. http://hdl.handle.net/2078.1/47585

Charlier, Jean-Christophe; Ebbesen, TW; Lambin, Philippe. Structural and electronic properties of pentagon-heptagon pair defects in carbon nanotubes. In: Physical Review. B, Condensed Matter, Vol. 53, no. 16, p. 11108-11113 (1996).
doi:10.1103/PhysRevB.53.11108. http://hdl.handle.net/2078.1/47589

1995

Charlier, Jean-Christophe; Gonze, Xavier; Michenaud, Jean-Pierre. First-principles Study of Carbon Nanotube Solid-state Packings. In: Europhysics Letters : a letters journal exploring the frontiers of physics, Vol. 29, no. 1, p. 43-48 (1995).
doi:10.1209/0295-5075/29/1/008. http://hdl.handle.net/2078.1/48318

Rignanese, Gian-Marco; Ghosez, P.; Charlier, Jean-Christophe; Michenaud, Jean-Pierre; Gonze, Xavier. Scaling Hypothesis for Corrections To Total-energy and Stress in Plane-wave-based Ab-initio Calculations. In: Physical Review. B, Condensed Matter, Vol. 52, no. 11, p. 8160-8178 (1995).
doi:10.1103/PhysRevB.52.8160. http://hdl.handle.net/2078.1/47819

1994

Charlier, Jean-Christophe; Michenaud, Jean-Pierre; Gonze, Xavier. Ab initio structure of graphite monofluoride (CF)n. In: Molecular Crystals and Liquid Crystals, Vol. 245, p. 135-140 (1994). http://hdl.handle.net/2078.1/112851

Lambin, Ph.; Philippe, L.; Charlier, Jean-Christophe; Michenaud, Jean-Pierre. Electronic band structure of multilayered carbon tubules. In: Computational Materials Science, Vol. 2, p. 350-356 (1994). http://hdl.handle.net/2078.1/112860

Lambin, Ph.; Charlier, Jean-Christophe; Michenaud, Jean-Pierre. Electronic structure of coaxial carbon tubules. In: Progress in Fullerene Research, p. 130-134 (1994). http://hdl.handle.net/2078.1/145450

Charlier, Jean-Christophe; Gonze, Xavier; Michenaud, Jean-Pierre. First-principles study of the stacking effect on the electronic properties of graphite(s). In: Carbon, Vol. 32, p. 289-299 (1994). http://hdl.handle.net/2078.1/112854

Charlier, Jean-Christophe; Gonze, Xavier; Michenaud, Jean-Pierre. Graphite Interplanar Bonding – Electronic Delocalization and Van-der-waals Interaction. In: Europhysics Letters : a letters journal exploring the frontiers of physics, Vol. 28, no. 6, p. 403-408 (1994).
doi:10.1209/0295-5075/28/6/005. http://hdl.handle.net/2078.1/48588

Charlier, Jean-Christophe; Gonze, Xavier; Michenaud, Jean-Pierre. Graphite interplanar bonding : electronic delocalization and van der Waals interaction. In: Europhysics Letters : a letters journal exploring the frontiers of physics, Vol. 28, p. 403-408 (1994). http://hdl.handle.net/2078.1/112864

Gonze, Xavier; Charlier, Jean-Christophe; Allan, D.C.; Teter, M.P.. Interatomic force constants from first-principles: the case of alpha-quartz. In: Physical Review. B, Condensed Matter, Vol. 50, p. R13035-R13038 (1994).
doi:10.1103/PhysRevB.50.13035. http://hdl.handle.net/2078.1/112862

1993

Charlier, Jean-Christophe; Michenaud, Jean-Pierre. Energetics of Multilayered Carbon Tubules. In: Physical Review Letters, Vol. 70, no. 12, p. 1858-1861 (1993).
doi:10.1103/PhysRevLett.70.1858. http://hdl.handle.net/2078.1/49828

Charlier, Jean-Christophe; Gonze, Xavier; Michenaud, Jean-Pierre. First-principles study of graphite monofluoride (CF)n. In: Physical Review. B, Condensed Matter, Vol. 47, p. 16162-16168 (1993). http://hdl.handle.net/2078.1/112850

Charlier, Jean-Christophe. Les Fullerènes. In: Chimie Magazine, , no.14, p. 10-13 (1993). http://hdl.handle.net/2078.1/145297

1992

Charlier, Jean-Christophe; Michenaud, Jean-Pierre; Gonze, Xavier. First-principles study of the electronic properties of simple hexagonal graphite. In: Physical Review. B, Condensed Matter, Vol. 46, no. 8, p. 4531-4539 (1992).
doi:10.1103/PhysRevB.46.4531. http://hdl.handle.net/2078.1/112848

Charlier, Jean-Christophe; Michenaud, Jean-Pierre; Lambin, Philippe. Tight-binding Density of Electronic States of Pregraphitic Carbon. In: Physical Review. B, Condensed Matter, Vol. 46, no. 8, p. 4540-4543 (1992).
doi:10.1103/PhysRevB.46.4540. http://hdl.handle.net/2078.1/50753

1991

Charlier, Jean-Christophe; Gonze, Xavier; Michenaud, Jean-Pierre. First-principles study of the electronic properties of graphite. In: Physical Review. B, Condensed Matter, Vol. 43, no. 6, p. 4579-4589 (1991).
doi:10.1103/PhysRevB.43.4579. http://hdl.handle.net/2078.1/112841

Charlier, Jean-Christophe; Michenaud, Jean-Pierre; Gonze, Xavier; Vigneron, Jean-Pol. Tight-binding model for the electronic properties of simple hexagonal graphite. In: Physical review. B, Condensed matter and materials physics, Vol. 44, no. 24, p. 13237-13249 (1991).
doi:10.1103/PhysRevB.44.13237. http://hdl.handle.net/2078.1/112843

2024

Zhou, Jiaqi; Poncé, Samuel; Charlier, Jean-Christophe. Enhanced spin Hall ratio in two-dimensional semiconductors. In: npj Computational Materials, Vol. 10, no.1, p. 247 (2024). doi:10.1038/s41524-024-01434-z. http://hdl.handle.net/2078.1/292877

Galvani, Thomas; Hamze, Ali K; Caputo, Laura; Kaya, Onurcan; Dubois, Simon M-M; Colombo, Luigi; Nguyen, Viet-Hung; Shin, Yongwoo; Shin, Hyeon-Jin; Charlier, Jean-Christophe; Roche, Stephan. Exploring dielectric properties in atomistic models of amorphous boron nitride. In: Journal of Physics: Materials, Vol. 7, no.3, p. 035003 (2024). doi:10.1088/2515-7639/ad4c06. http://hdl.handle.net/2078.1/289104

Zhou, Jiaqi; Poncé, Samuel; Charlier, Jean-Christophe. Guidelines for accurate and efficient calculations of mobilities in two-dimensional semiconductors. In: Physical Review B, Vol. 110, no.12, p. 125304 (2024). doi:10.1103/physrevb.110.125304. http://hdl.handle.net/2078.1/292617

Dosenovic, Djordje; Dechamps, Samuel; Sharma, Kshipra; Rouviere, Jean-Luc; Lu, Yiran; den Hertog, Martien Ilse; Genovese, Luigi; Dubois, Simon M-M; Charlier, Jean-Christophe; Jamet, Matthieu; Marty, Alain; Okuno, Hanako. Imaging Negative Charge around Single Vanadium Dopant Atoms in Monolayer Tungsten Diselenide Using 4D Scanning Transmission Electron Microscopy. In: ACS Nano, Vol. 18, no.34, p. 23354-23364 (2024). doi:10.1021/acsnano.4c06561. http://hdl.handle.net/2078.1/292904

Tran, Viet Anh; Nguyen, Viet-Hung; Charlier, Jean-Christophe. Klein tunneling degradation and enhanced Fabry-Pérot interference in graphene/h-BN moiré-superlattice devices. In: 2D Materials, Vol. 11, no.2, p. 025023 (2024). doi:10.1088/2053-1583/ad27e8. http://hdl.handle.net/2078.1/285637

Wei, Hao; Dubois, Simon M-M; Brunnett, Frederic; Peiro, Julian; Godel, Florian; Carrétéro, Cécile; Panciera, Federico; Collin, Sophie; Bouamrane, Fayçal; Zatko, Victor; Galbiati, Marta; Carré, Etienne; Patriarche, Gilles; Petroff, Frédéric; Charlier, Jean-Christophe; Martin, Marie‐Blandine; Dlubak, Bruno; Seneor, Pierre. Large‐Area Artificial van der Waals “Mille‐Feuille” Superlattices. In: Advanced Materials Interfaces, Vol. -, no.-, p. 2400409 (2024). doi:10.1002/admi.202400409. http://hdl.handle.net/2078.1/289122

Dechamps, Samuel; Nguyen, Viet-Hung; Charlier, Jean-Christophe. Lateral junctions of transition metal dichalcogenides as ballistic channels for straintronic applications. In: Nanotechnology, Vol. 35, no.17, p. 175201 (2024). doi:10.1088/1361-6528/ad1d78. http://hdl.handle.net/2078.1/285635

Caputo, Laura; Nguyen, Viet-Hung; Charlier, Jean-Christophe. Thermoelectric properties of graphene through BN-ring doping: A theoretical investigation. In: Carbon, Vol. 229, no.-, p. 119456 (2024). doi:10.1016/j.carbon.2024.119456. http://hdl.handle.net/2078.1/291024

2023

Zanolli, Zeila; Malcıoğlu, Osman Barış; Charlier, Jean-Christophe. Carbynes connected to polycyclic aromatic hydrocarbons as potential carriers of diffuse interstellar bands. In: Astronomy & Astrophysics, Vol. 675, no.-, p. L9 (2023). doi:10.1051/0004-6361/202245721. http://hdl.handle.net/2078.1/279634

Cardia, Roberto; Dardenne, Nicolas; Mula, Guido; Pinna, Elisa; Rignanese, Gian-Marco; Charlier, Jean-Christophe; Cappellini, Giancarlo. First-Principles Investigation of the Optical Properties of Eumelanin Protomolecules. In: The Journal of Physical Chemistry A, Vol. 127, no.51, p. 10797-10806 (2023). doi:10.1021/acs.jpca.3c04898. http://hdl.handle.net/2078.1/284002

Marazzi, Enrico; Ghojavand, Ali; Pirard, Jérémie; Petretto, Guido; Charlier, Jean-Christophe; Rignanese, Gian-Marco. Modeling symmetric and defect-free carbon schwarzites into various zeolite templates. In: Carbon, Vol. 215, no.-, p. 118385 (2023). doi:10.1016/j.carbon.2023.118385. http://hdl.handle.net/2078.1/278086

Arrighi, Everton; Nguyen, Viet-Hung; Di Luca, Mario; Maffione, Gaia; Hong, Yuanzhuo; Farrar, Liam; Watanabe, Kenji; Taniguchi, Takashi; Mailly, Dominique; Charlier, Jean-Christophe; Ribeiro-Palau, Rebeca. Non-identical moiré twins in bilayer graphene. In: Nature Communications, Vol. 14, no.1, p. 8178 (2023). doi:10.1038/s41467-023-43965-x. http://hdl.handle.net/2078.1/284007

Canetta, Alessandra; Gonzalez-Munoz, Sergio; Nguyen, Viet-Hung; Agarwal, Khushboo; de Crombrugghe de Picquendaele, Pauline; Hong, Yuanzhuo; Mohapatra, Sambit; Watanabe, Kenji; Taniguchi, Takashi; Nysten, Bernard; Hackens, Benoît; Ribeiro-Palau, Rebeca; Charlier, Jean-Christophe; Kolosov, Oleg Victor; Spiece, Jean; Gehring, Pascal. Quantifying the local mechanical properties of twisted double bilayer graphene. In: Nanoscale, Vol. 15, no. 18, p. 8134-8140 (2023). doi:10.1039/d3nr00388d. http://hdl.handle.net/2078.1/275373

Nguyen, Viet-Hung; Charlier, Jean-Christophe. Recursive Green’s functions optimized for atomistic modelling of large superlattice-based devices. In: Journal of Computational Electronics, Vol. 22, no.5, p. 1215-1230 (2023). doi:10.1007/s10825-023-02052-6. http://hdl.handle.net/2078.1/279632

Feng, Shuang; Yao, Yufang; Charlier, Jean-Christophe; Rignanese, Gian-Marco; Wang, Junjie. h-MBenes (M/B = 1:1) as Promising Electrocatalysts for Nitrogen Reduction Reaction: A Theoretical Study. In: Chemistry of Materials, Vol. 35, no.21, p. 9019-9028 (2023). doi:10.1021/acs.chemmater.3c01656. http://hdl.handle.net/2078.1/284005

2022

Zatko, Victor; Dubois, Simon M-M; Godel, Florian; Galbiati, Marta; Peiro, Julian; Sander, Anke; Carretero, Cécile; Vecchiola, Aymeric; Collin, Sophie; Bouzehouane, Karim; Servet, Bernard; Petroff, Frédéric; Charlier, Jean-Christophe; Martin, Marie-Blandine; Dlubak, Bruno; Seneor, Pierre. Almost Perfect Spin Filtering in Graphene-Based Magnetic Tunnel Junctions. In: ACS Nano, Vol. 16, no.9, p. 14007-14016 (2022). doi:10.1021/acsnano.2c03625. http://hdl.handle.net/2078.1/265797

Nguyen, Viet-Hung; Hoang, Trinh X; Charlier, Jean-Christophe. Electronic properties of twisted multilayer graphene. In: Journal of Physics: Materials, Vol. 5, no.3, p. 034003 (2022). doi:10.1088/2515-7639/ac6c4a. http://hdl.handle.net/2078.1/263176

Gadelha, Andreij C.; Nguyen, Viet-Hung; Neto, Eliel G. S.; Santana, Fabiano; Raschke, Markus B.; Lamparski, Michael; Meunier, Vincent; Charlier, Jean-Christophe; Jorio, Ado. Electron–Phonon Coupling in a Magic-Angle Twisted-Bilayer Graphene Device from Gate-Dependent Raman Spectroscopy and Atomistic Modeling. In: Nano Letters, Vol. 22, no.15, p. 6069-6074 (2022). doi:10.1021/acs.nanolett.2c00905. http://hdl.handle.net/2078.1/265392

Caputo, Laura; Nguyen, Viet-Hung; Charlier, Jean-Christophe. First-principles study of the structural and electronic properties of BN-ring doped graphene. In: Physical Review Materials, Vol. 6, no.11, p. 114001 (2022). doi:10.1103/physrevmaterials.6.114001. http://hdl.handle.net/2078.1/268207

Morinobu Endo; Toshiaki Enoki,; Charlier, Jean-Christophe; Saito, Riichiro; Marcos A. Pimenta; Ado Jorio; Antonio G. Souza Filho; Humberto Terrones; Jing Kong; Mauricio Terrones. Gene F. Dresselhaus (1929–2021) – A Tribute from the Carbon journal. In: Carbon, Vol. 187, no.-, p. 488-492 (2022). doi:10.1016/j.carbon.2021.11.004. http://hdl.handle.net/2078.1/257582

Brun-Barrière, Boris; Nguyen, Viet-Hung; Moreau, Nicolas; Somanchi, Sowmya; Watanabe, Kenji; Taniguchi, Takashi; Charlier, Jean-Christophe; Stampfer, Christoph; Hackens, Benoît. Graphene Whisperitronics: Transducing Whispering Gallery Modes into Electronic Transport. In: Nano Letters, Vol. 22, no.1, p. 128-134 (2021). doi:10.1021/acs.nanolett.1c03451. http://hdl.handle.net/2078.1/257457

Martin, Pascal; Dlubak, Bruno; Seneor, Pierre; Mattana, Richard; Martin, Marie‐Blandine; Lafarge, Philippe; Mallet, François; Della Rocca, Maria Luisa; Dubois, Simon M-M; Charlier, Jean-Christophe; Barraud, Clément. Organic–Inorganic Hybrid Interfaces for Spin Injection into Carbon Nanotubes and Graphene. In: Advanced Quantum Technologies, Vol. -, no.-, p. 2100166 (2022). doi:10.1002/qute.202100166. http://hdl.handle.net/2078.1/259901

Romito, Deborah; Fresta, Elisa; Cavinato, Luca M.; Kählig, Hanspeter; Amenitsch, Heinz; Caputo, Laura; Chen, Yusheng; Samorì, Paolo; Charlier, Jean-Christophe; Costa, Rubén D.; Bonifazi, Davide. Supramolecular Chalcogen‐Bonded Semiconducting Nanoribbons at Work in Lighting Devices. In: Angewandte Chemie International Edition, Vol. -, no.-, p. e202202137 (2022). doi:10.1002/anie.202202137. http://hdl.handle.net/2078.1/263180

Çınar, Mustafa Neşet; Antidormi, Aleandro; Nguyen, Viet-Hung; Kovtun, Alessandro; Lara-Avila, Samuel; Liscio, Andrea; Charlier, Jean-Christophe; Roche, Stephan; Sevinçli, Hâldun. Toward Optimized Charge Transport in Multilayer Reduced Graphene Oxides. In: Nano Letters, Vol. 22, no.6, p. 2202-2208 (2022). doi:10.1021/acs.nanolett.1c03883. http://hdl.handle.net/2078.1/259691

2021

Zatko, Victor; Dubois, Simon M-M; Godel, Florian; Carrétéro, Cécile; Sander, Anke; Collin, Sophie; Galbiati, Marta; Peiro, Julian; Panciera, Federico; Patriarche, Gilles; Brus, Pierre; Servet, Bernard; Charlier, Jean-Christophe; Martin, Marie-Blandine; Dlubak, Bruno; Seneor, Pierre. Band-Gap Landscape Engineering in Large-Scale 2D Semiconductor van der Waals Heterostructures. In: ACS Nano, Vol. 15, no.4, p. 7279-7289 (2021). doi:10.1021/acsnano.1c00544. http://hdl.handle.net/2078.1/245736

Zhou, Jiaqi; Charlier, Jean-Christophe. Controllable spin current in van der Waals ferromagnet Fe3GeTe2. In: Physical Review Research, Vol. 3, no.4, p. L042033-1 (2021). doi:10.1103/physrevresearch.3.l042033. http://hdl.handle.net/2078.1/254401

Nguyen, Viet-Hung; Paszko, David; Lamparski, M; Van Troeye, Benoit; Meunier, V; Charlier, Jean-Christophe. Electronic localization in small-angle twisted bilayer graphene. In: 2D Materials, Vol. 8, no.3, p. 035046 (2021). doi:10.1088/2053-1583/ac044f. http://hdl.handle.net/2078.1/248324

Andreij C. Gadelha; Douglas A. A. Ohlberg; Cassiano Rabelo; Eliel G. S. Neto; Thiago L. Vasconcelos; João L. Campos; Jessica S. Lemos; Vinícius Ornelas; Daniel Miranda; Rafael Nadas; Fabiano C. Santana; Kenji Watanabe; Takashi Taniguchi; Benoit van Troeye; Michael Lamparski; Vincent Meunier; Nguyen, Viet-Hung; Paszko, Dawid; Charlier, Jean-Christophe; Leonardo C. Campos; Luiz G. Cançado; Gilberto Medeiros-Ribeiro; Ado Jorio. Localization of lattice dynamics in low-angle twisted bilayer graphene. In: Nature, Vol. 590, p. 405-409 (2021). doi:10.1038/s41586-021-03252-5. http://hdl.handle.net/2078.1/237667

Zhu, Qi; Botello‐Méndez, Andrés; Cheng, Luhua; Fajardo‐Diaz, Juan; Muñoz‐Sandoval, Emilio; López‐Urias, Florentino; Wang, Jiande; Gohy, Jean-François; Charlier, Jean-Christophe; Vlad, Alexandru. N‐doped carbon nanotube sponges and their excellent lithium storage performances. In: Nano Select, (2021). doi:10.1002/nano.202100206. http://hdl.handle.net/2078.1/254397

2020

Nguyen, Viet-Hung; Charlier, Jean-Christophe. Aharonov–Bohm interferences in polycrystalline graphene. In: Nanoscale Advances, Vol. 2, no. 1, p. 256-263 (2020). doi:10.1039/c9na00542k. http://hdl.handle.net/2078.1/227315

Champagne, Aurélie; Dechamps, Samuel; Dubois, Simon M-M; Lherbier, Aurélien; Nguyen, Viet-Hung; Charlier, Jean-Christophe. Computational Atomistic Modeling in Carbon Flatland and Other 2D Nanomaterials. In: Applied Sciences, Vol. 10, no.5, p. 1724 (2020). doi:10.3390/app10051724. http://hdl.handle.net/2078.1/229852

Badr, Hussein O.; Champagne, Aurélie; Ouisse, Thierry; Charlier, Jean-Christophe; Barsoum, Michel W.. Elastic properties and hardness values of V2AlC and Cr2AlC single crystals. In: Physical Review Materials, Vol. 4, no.8, p. 083605 (2020). doi:10.1103/physrevmaterials.4.083605. http://hdl.handle.net/2078.1/236395

Gali, Sai Manoj; Pershin, Anton; Lherbier, Aurélien; Charlier, Jean-Christophe; Beljonne, David. Electronic and Transport Properties in Defective MoS2: Impact of Sulfur Vacancies. In: The Journal of Physical Chemistry C, Vol. 124, no.28, p. 15076-15084 (2020). doi:10.1021/acs.jpcc.0c04203. http://hdl.handle.net/2078.1/236397

Benoit Van Troeye; Lherbier, Aurélien; Dubois, Simon M-M; Charlier, Jean-Christophe; Gonze, Xavier. First-principles prediction of lattice coherency in van der Waals heterostructures. In: arXiv, (2020) (Soumis). http://hdl.handle.net/2078.1/237674

Bonnet, Roméo; Martin, Pascal; Suffit, Stéphan; Lafarge, Philippe; Lherbier, Aurélien; Charlier, Jean-Christophe; Della Rocca, Maria Luisa; Barraud, Clément. Giant spin signals in chemically functionalized multiwall carbon nanotubes. In: Science Advances, Vol. 6, no.31, p. eaba5494 (2020). doi:10.1126/sciadv.aba5494. http://hdl.handle.net/2078.1/232241

Champagne, Aurélie; Battaglia, J.-L.; Ouisse, T.; Ricci, Francesco; Kusiak, A.; Pradere, C.; Natu, V.; Dewandre, A.; Verstraete, M. J.; Barsoum, M. W.; Charlier, Jean-Christophe. Heat Capacity and Anisotropic Thermal Conductivity in Cr2AlC Single Crystals at High Temperature. In: The Journal of Physical Chemistry C, Vol. 124, no.43, p. 24017-24028 (2020). doi:10.1021/acs.jpcc.0c08384. http://hdl.handle.net/2078.1/237665

Champagne, Aurélie; Ricci, Francesco; Barbier, M.; Ouisse, T.; Magnin, Delphine; Ryelandt, Sophie; Pardoen, Thomas; Hautier, Geoffroy; Barsoum, M. W.; Charlier, Jean-Christophe. Insights into the elastic properties of RE-i-MAX phases and their potential exfoliation into two-dimensional RE-i-MXenes. In: Physical Review Materials, Vol. 4, no. 1, p. 013604 (2020). doi:10.1103/physrevmaterials.4.013604. http://hdl.handle.net/2078.1/226529

Brun-Barrière, Boris; Moreau, Nicolas; Somanchi, S; Nguyen, Viet-Hung; Mreńca-Kolasińska, A; Watanabe, K; Taniguchi, T; Charlier, Jean-Christophe; Stampfer, C; Hackens, Benoît. Optimizing Dirac fermions quasi-confinement by potential smoothness engineering. In: 2D Materials, Vol. 7, no. 2, p. 025037 (2020). doi:10.1088/2053-1583/ab734e. http://hdl.handle.net/2078.1/231300

Champagne, Aurélie; Charlier, Jean-Christophe. Physical properties of 2D MXenes: from a theoretical perspective. In: Journal of Physics: Materials, Vol. 3, no. 3, p. 032006 (2020). doi:10.1088/2515-7639/ab97ee. http://hdl.handle.net/2078.1/236394

Piquemal-Banci, Maëlis; Galceran, Regina; Dubois, Simon M-M; Zatko, Victor; Galbiati, Marta; Godel, Florian; Martin, Marie-Blandine; Weatherup, Robert S.; Petroff, Frédéric; Fert, Albert; Charlier, Jean-Christophe; Robertson, John; Hofmann, Stephan; Dlubak, Bruno; Seneor, Pierre. Spin filtering by proximity effects at hybridized interfaces in spin-valves with 2D graphene barriers. In: Nature Communications, Vol. 11, no.1, p. – (2020). doi:10.1038/s41467-020-19420-6. http://hdl.handle.net/2078.1/237662

Banerjee, Riju; Nguyen, Viet-Hung; Granzier-Nakajima, Tomotaroh; Pabbi, Lavish; Lherbier, Aurélien; Binion, Anna Ruth; Charlier, Jean-Christophe; Terrones, Mauricio; Hudson, Eric William. Strain Modulated Superlattices in Graphene. In: Nano Letters, Vol. 20, no.5, p. 3113-3121 (2020). doi:10.1021/acs.nanolett.9b05108. http://hdl.handle.net/2078.1/229878

2019

Tonnelé, Claire; Pershin, Anton; Gali, Sai Manoj; Lherbier, Aurélien; Charlier, Jean-Christophe; Castet, Frédéric; Muccioli, Luca; Beljonne, David. Atomistic simulations of charge transport in photoswitchable organic-graphene hybrids. In: Journal of Physics: Materials, Vol. 2, no.3, p. 035001 (2019). doi:10.1088/2515-7639/ab1314. http://hdl.handle.net/2078.1/218099

Zatko, Victor; Galbiati, Marta; Dubois, Simon M-M; Och, Mauro; Palczynski, Pawel; Mattevi, Cecilia; Brus, Pierre; Bezencenet, Odile; Martin, Marie-Blandine; Servet, Bernard; Charlier, Jean-Christophe; Godel, Florian; Vecchiola, Aymeric; Bouzehouane, Karim; Collin, Sophie; Petroff, Frédéric; Dlubak, Bruno; Seneor, Pierre. Band-Structure Spin-Filtering in Vertical Spin Valves Based on Chemical Vapor Deposited WS2. In: ACS Nano, Vol. 13, no.12, p. 14468-14476 (2019). doi:10.1021/acsnano.9b08178. http://hdl.handle.net/2078.1/225938

Camacho-Mojica, Dulce C.; Cunning, Benjamin; Chatterjee, Shahana; Jin, Sunghwan; Ding, Feng; Charlier, Jean-Christophe; Ruoff, Rodney S.. Charge Transfer during the Dissociation of H2 and the Charge State of H Atoms in Liquid Gallium. In: The Journal of Physical Chemistry C, Vol. 123, no.44, p. 26769-26776 (2019). doi:10.1021/acs.jpcc.9b06779. http://hdl.handle.net/2078.1/225928

Champagne, Aurélie; Chaix-Pluchery, O.; Ouisse, T.; Pinek, D.; Gélard, I.; Jouffret, L.; Barbier, M.; Wilhelm, F.; Tao, Q.; Lu, J.; Rosen, J.; Barsoum, M. W.; Charlier, Jean-Christophe. First-order Raman scattering of rare-earth containing i-MAX single crystals (Mo2/3RE1/3)2AlC (RE=Nd,Gd,Dy,Ho,Er). In: Physical Review Materials, Vol. 3, no.5, p. 053609 (2019). doi:10.1103/physrevmaterials.3.053609. http://hdl.handle.net/2078.1/218101

Brun-Barrière, Boris; MOREAU, Nicolas; Somanchi, S.; Nguyen, Viet-Hung; Watanabe, K.; Taniguchi, T.; Charlier, Jean-Christophe; Stampfer, C.; Hackens, Benoît. Imaging Dirac fermions flow through a circular Veselago lens. In: Physical Review B, Vol. 100, no.4, p. 0414011 (2019). doi:10.1103/physrevb.100.041401. http://hdl.handle.net/2078.1/219458

Galbiati, Marta; Tatay, Sergio; Dubois, Simon M-M; Godel, Florian; Galceran, Regina; Mañas-Valero, Samuel; Piquemal-Banci, Maëlis; Vecchiola, Aymeric; Charlier, Jean-Christophe; Forment-Aliaga, Alicia; Coronado, Eugenio; Dlubak, Bruno; Seneor, Pierre. Path to Overcome Material and Fundamental Obstacles in Spin Valves Based on MoS2 and Other Transition-Metal Dichalcogenides. In: Physical Review Applied, Vol. 12, no.4, p. 044022 (2019). doi:10.1103/physrevapplied.12.044022. http://hdl.handle.net/2078.1/222335

Nguyen, Viet-Hung; Charlier, Jean-Christophe. Stepped graphene-based Aharonov–Bohm interferometers. In: 2D Materials, Vol. 6, no.4, p. 045045 (2019). doi:10.1088/2053-1583/ab3500. http://hdl.handle.net/2078.1/222330

Cummings, Aron W.; Dubois, Simon M-M; Charlier, Jean-Christophe; Roche, Stephan. Universal Spin Diffusion Length in Polycrystalline Graphene. In: Nano Letters, Vol. 19, no.10, p. 7418-7426 (2019). doi:10.1021/acs.nanolett.9b03112. http://hdl.handle.net/2078.1/222332

2018

Dardenne, Nicolas; Hautier, Geoffroy; Gohy, Jean-François; Charlier, Jean-Christophe; Rignanese, Gian-Marco. Ab initio calculations of open cell voltage in newly designed PTMA-based Li-ion organic radical batteries. In: Computational Materials Science, Vol. 143, p. 27-31 (2018). doi:10.1016/j.commatsci.2017.10.038. http://hdl.handle.net/2078.1/189267

Dechamps, Samuel; Nguyen, Viet-Hung; Charlier, Jean-Christophe. Ab initio quantum transport in polycrystalline graphene. In: Nanoscale, Vol. 10, no.16, p. 7759-7768 (2018). doi:10.1039/c8nr00289d. http://hdl.handle.net/2078.1/197400

Champagne, Aurélie; Shi, Lu; Ouisse, Thierry; Hackens, Benoît; Charlier, Jean-Christophe. Electronic and vibrational properties of V2C-based MXenes: From experiments to first-principles modeling. In: Physical Review B, Vol. 97, no.11, p. 115439 (2018). doi:10.1103/physrevb.97.115439. http://hdl.handle.net/2078.1/199256

Piquemal-Banci, Maëlis; Galceran, Regina; Godel, Florian; Caneva, Sabina; Martin, Marie-Blandine; Weatherup, Robert S.; Kidambi, Piran R.; Bouzehouane, Karim; Xavier, Stephane; Anane, Abdelmadjid; Petroff, Frédéric; Fert, Albert; Dubois, Simon M-M; Charlier, Jean-Christophe; Robertson, John; Hofmann, Stephan; Dlubak, Bruno; Seneor, Pierre. Insulator-to-Metallic Spin-Filtering in 2D-Magnetic Tunnel Junctions Based on Hexagonal Boron Nitride. In: ACS Nano, Vol. 12, no.5, p. 4712-4718 (2018). doi:10.1021/acsnano.8b01354. http://hdl.handle.net/2078.1/199252

Nguyen, Viet-Hung; Charlier, Jean-Christophe. Klein tunneling and electron optics in Dirac-Weyl fermion systems with tilted energy dispersion. In: Physical Review B, Vol. 97, no.23, p. 235113 (2018). doi:10.1103/physrevb.97.235113. http://hdl.handle.net/2078.1/199248

Van Troeye, Benoît; Lherbier, Aurélien; Charlier, Jean-Christophe; Gonze, Xavier. Large phosphorene in-plane contraction induced by interlayer interactions in graphene-phosphorene heterostructures. In: Physical Review Materials, Vol. 2, no.7, p. 074001 (2018). doi:10.1103/physrevmaterials.2.074001. http://hdl.handle.net/2078.1/201078

Lherbier, Aurélien; Vander Marcken, Gil; Van Troeye, Benoît; Botello-Méndez, Andrés Rafael; Adjizian, Jean Joseph; Hautier, Geoffroy; Gonze, Xavier; Rignanese, Gian-Marco; Charlier, Jean-Christophe. Lithiation properties of sp2 carbon allotropes. In: Physical Review Materials, Vol. 2, no.8, p. 085408 (2018). doi:10.1103/physrevmaterials.2.085408. http://hdl.handle.net/2078.1/203763

Champagne, Aurélie; Bourdarot, F.; Bourges, P.; Piekarz, P.; Pinek, D.; Gélard, I.; Charlier, Jean-Christophe; Ouisse, T.. Phonon dispersion curves in Cr2AlC single-crystals. In: Materials Research Letters, Vol. 6, no.7, p. 378-383 (2018). doi:10.1080/21663831.2018.1463298. http://hdl.handle.net/2078.1/197402

Tao, Q.; Ouisse, T.; Pinek, D.; Chaix-Pluchery, O.; Wilhelm, F.; Rogalev, A.; Opagiste, C.; Jouffret, L.; Champagne, Aurélie; Charlier, Jean-Christophe; Lu, J.; Hultman, L.; Barsoum, M. W.; Rosen, J.. Rare-earth (RE) nanolaminates Mo4RE4Al7C3 featuring ferromagnetism and mixed-valence states. In: Physical Review Materials, Vol. 2, no.11, p. 114401 (2018). doi:10.1103/physrevmaterials.2.114401. http://hdl.handle.net/2078.1/210009

Salemi, Leandro; Lherbier, Aurélien; Charlier, Jean-Christophe. Spin-dependent properties in zigzag graphene nanoribbons with phenyl-edge defects. In: Physical Review B, Vol. 98, no.21, p. 214204 (2018). doi:10.1103/physrevb.98.214204. http://hdl.handle.net/2078.1/210027

2017

Hammad, Mohamed; Adjizian, Jean Joseph; Sacré, Charles-Henri; Huet, Benjamin; Charlier, Jean-Christophe; Raskin, Jean-Pierre; Pardoen, Thomas. Adhesionless and near-ideal contact behavior of graphene on Cu thin film. In: Carbon, Vol. 122, p. 446-450 (2017). doi:10.1016/j.carbon.2017.06.037. http://hdl.handle.net/2078.1/186747

Ben Romdhane, Ferdaous; Adjizian, Jean Joseph; Charlier, Jean-Christophe; Banhart, Florian. Electrical transport through atomic carbon chains: The role of contacts. In: Carbon, Vol. 122, no. -, p. 92-97 (2017). doi:10.1016/j.carbon.2017.06.039. http://hdl.handle.net/2078.1/187829

Torche, Abderrezak; Mauri, Francesco; Charlier, Jean-Christophe; Calandra, Matteo. First-principles determination of the Raman fingerprint of rhombohedral graphite. In: Physical Review Materials, Vol. 1, no.4, p. 041001 (2017). doi:10.1103/PhysRevMaterials.1.041001. http://hdl.handle.net/2078.1/187830

Nguyen, Viet-Hung; Lherbier, Aurélien; Charlier, Jean-Christophe. Optical Hall effect in strained graphene. In: 2D Materials, Vol. 4, no.2, p. 025041 (2017). doi:10.1088/2053-1583/aa5f8b. http://hdl.handle.net/2078.1/184815

Mortazavi, Bohayra; Lherbier, Aurélien; Fan, Zheyong; Harju, Ari; Rabczuk, Timon; Charlier, Jean-Christophe. Thermal and electronic transport characteristics of highly stretchable graphene kirigami. In: Nanoscale, Vol. 9, p. 16329-16341 (2017). doi:10.1039/c7nr05231f. http://hdl.handle.net/2078.1/191987

Dardenne, Nicolas; Cardia, Roberto; Li, Jing; Malloci, Giuliano; Cappellini, Giancarlo; Blase, Xavier; Charlier, Jean-Christophe; Rignanese, Gian-Marco. Tuning Optical Properties of Dibenzochrysenes by Functionalization: A Many-Body Perturbation Theory Study. In: The Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, Vol. 121, no.44, p. 24480-24488 (2017). doi:10.1021/acs.jpcc.7b08601. http://hdl.handle.net/2078.1/189183

2016

Adjizian, Jean Joseph; Vlandas, Alexis; Rio, Jeremy; Charlier, Jean-Christophe; Ewel, Chris. Ab initio infrared vibrational modes for neutral and charged small fullerenes (C20, C24, C26, C28, C30 and C60). In: Philosophical transactions. Series A, Mathematical, physical, and engineering sciences, Vol. 374, no. -, p. – (8 August 2016). doi:10.1098/rsta.2015.0323. http://hdl.handle.net/2078.1/181496

del Corro, Elena; Botello Mendez, Andrés Rafael; Gillet, Yannick; Elias, Ana Laura; Terrones, Humberto; Feng, Simin; Fantini, Cristiano; Rhodes, Daniel; Pradhan, Narayan; Balicas, Luis; Gonze, Xavier; Charlier, Jean-Christophe; Terrones, Mauricio; Pimenta, Marcos A.. Atypical Exciton-Phonon Interactions in WS2 and WSe2 Monolayers Revealed by Resonance Raman Spectroscopy. In: Nano Letters : a journal dedicated to nanoscience and nanotechnology, Vol. 16, no.4, p. 2363-2368 (2016). doi:10.1021/acs.nanolett.5b05096. http://hdl.handle.net/2078.1/173451

Bonnet, Roméo; Lherbier, Aurélien; Barraud, Clément; Rocca, Maria Luisa Della; Lafarge, Philippe; Charlier, Jean-Christophe. Charge transport through one-dimensional Moiré crystals. In: Scientific Reports, Vol. 6, p. 19701 (2016). doi:10.1038/srep19701. http://hdl.handle.net/2078.1/171476

Lian, J. X.; Lherbier, Aurélien; Wang, L. J.; Charlier, Jean-Christophe; Beljonne, D.; Olivier, Y.. Electronic Structure and Charge Transport in Nanostripped Graphene. In: The Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, Vol. 120, no.36, p. 20024-20032 (2016). doi:10.1021/acs.jpcc.6b06265. http://hdl.handle.net/2078.1/181977

Lherbier, Aurélien; Botello Mendez, Andrés Rafael; Charlier, Jean-Christophe. Electronic and optical properties of pristine and oxidized borophene. In: 2D Materials, Vol. 3, no.4, p. 045006 (2016). doi:10.1088/2053-1583/3/4/045006. http://hdl.handle.net/2078.1/181978

Adjizian, Jean Joseph; Lherbier, Aurélien; Dubois, Simon M-M; Botello Mendez, Andrés Rafael; Charlier, Jean-Christophe. The electronic and transport properties of two-dimensional conjugated polymer networks including disorder. In: Nanoscale, Vol. 8, no.3, p. 1642-1651 (2016). doi:10.1039/C5NR06825H. http://hdl.handle.net/2078.1/170156

Nguyen, Viet-Hung; Hoang, Trinh X.; Dollfus, P.; Charlier, Jean-Christophe. Transport properties through graphene grain boundaries: strain effects versus lattice symmetry. In: Nanoscale, Vol. 8, no.22, p. 11658-11673 (2016). doi:10.1039/c6nr01359g. http://hdl.handle.net/2078.1/181976

Nguyen, Viet-Hung; Dechamps, Samuel; Dollfus, P.; Charlier, Jean-Christophe. Valley Filtering and Electronic Optics Using Polycrystalline Graphene. In: Physical Review Letters, Vol. 117, no.24, p. 247702 (2016). doi:10.1103/PhysRevLett.117.247702. http://hdl.handle.net/2078.1/181980

2015

Dardenne, Nicolas; Blase, Xavier; Hautier, Geoffroy; Charlier, Jean-Christophe; Rignanese, Gian-Marco. Ab Initio Calculations of Open-Cell Voltage in Li-Ion Organic Radical Batteries. In: The Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, Vol. 119, no.41, p. 23373-23378 (2015). doi:10.1021/acs.jpcc.5b07886. http://hdl.handle.net/2078.1/165910

Lherbier, Aurélien; Liang, Liangbo; Charlier, Jean-Christophe; Meunier, Vincent. Charge carrier transport and separation in pristine and nitrogen-doped graphene nanowiggle heterostructures. In: Carbon, Vol. 95, no.., p. 833-842 (December 2015). doi:10.1016/j.carbon.2015.08.111. http://hdl.handle.net/2078.1/165354

Romero Aburto, Rebeca; Alemany, Lawrence B.; Weldeghiorghis, Thomas K.; Ozden, Sehmus; Peng, Zhiwei; Lherbier, Aurélien; Botello Mendez, Andrés Rafael; Tiwary, Chandra Sekhar; Taha-Tijerina, Jaime; Yan, Zheng; Tabata, Mika; Charlier, Jean-Christophe; Tour, James M.; Ajayan, Pulickel M.. Chemical Makeup and Hydrophilic Behavior of Graphene Oxide Nanoribbons after Low-Temperature Fluorination. In: ACS Nano, Vol. 9, no.7, p. 7009-7018 (2015). doi:10.1021/acsnano.5b01330. http://hdl.handle.net/2078.1/165350

Roche, Stephan; Ãkerman, Johan; Beschoten, Bernd; Charlier, Jean-Christophe; Chshiev, Mairbek; Prasad Dash, Saroj; Dlubak, Bruno; Fabian, Jaroslav; Fert, Albert; Guimarães, Marcos; Guinea, Francisco; Grigorieva, Irina; Schönenberger, Christian; Seneor, Pierre; Stampfer, Christoph; Valenzuela, Sergio O; Waintal, Xavier; van Wees, Bart. Graphene spintronics: the European Flagship perspective. In: 2D Materials, Vol. 2, no.3, p. 030202 (2015). doi:10.1088/2053-1583/2/3/030202. http://hdl.handle.net/2078.1/170905

Soriano, David; Tuan, Dinh Van; Dubois, Simon M-M; Gmitra, Martin; Cummings, Aron W; Kochan, Denis; Ortmann, Frank; Charlier, Jean-Christophe; Fabian, Jaroslav; Roche, Stephan. Spin transport in hydrogenated graphene. In: 2D Materials, Vol. 2, no.2, p. 022002 (2015). doi:10.1088/2053-1583/2/2/022002. http://hdl.handle.net/2078.1/159598

La Torre, A.; Botello Mendez, Andrés Rafael; Baaziz, W.; Charlier, Jean-Christophe; Banhart, F.. Strain-induced metal–semiconductor transition observed in atomic carbon chains. In: Nature Communications, Vol. 6, p. 6636 (2015). doi:10.1038/ncomms7636. http://hdl.handle.net/2078.1/158554

Khalfoun, Hafid; Lherbier, Aurélien; Lambin, Philippe; Henrard, Luc; Charlier, Jean-Christophe. Transport regimes in nitrogen-doped carbon nanotubes: Perfect order, semi-random, and random disorder cases. In: Physical review. B, Condensed matter and materials physics, Vol. 91, no.3, p. 035428 (2015). doi:10.1103/PhysRevB.91.035428. http://hdl.handle.net/2078.1/155245

Lv, Ruitao; Chen, Gugang; Li, Qing; McCreary, Amber; Botello Mendez, Andrés Rafael; Morozov, S. V.; Liang, Liangbo; Declerck, Xavier; Perea-López, Nestor; Cullen, David A.; Feng, Simin; Elías, Ana Laura; Cruz-Silva, Rodolfo; Fujisawa, Kazunori; Endo, Morinobu; Kang, Feiyu; Charlier, Jean-Christophe; Meunier, Vincent; Pan, Minghu; Harutyunyan, Avetik R.; Novoselov, Konstantin S.; Terrones, Mauricio. Ultrasensitive gas detection of large-area boron-doped graphene. In: Proceedings of the National academy of sciences of the United States of America, , p. 201505993 (2015). doi:10.1073/pnas.1505993112. http://hdl.handle.net/2078.1/166267

de Jamblinne de Meux, Albert; Leconte, Nicolas; Charlier, Jean-Christophe; Lherbier, Aurélien. Velocity renormalization and Dirac cone multiplication in graphene superlattices with various barrier-edge geometries. In: Physical review. B, Condensed matter and materials physics, Vol. 91, no.23, p. 235139 (2015). doi:10.1103/PhysRevB.91.235139. http://hdl.handle.net/2078.1/166433

2014

Botello Mendez, Andrés Rafael; Dubois, Simon M-M; Lherbier, Aurélien; Charlier, Jean-Christophe. Achievements of DFT for the investigation of graphene-related nanostructures. In: Accounts of Chemical Research, Vol. 47, no.11, p. 3292-3300 (2014). doi:10.1021/ar500281v. http://hdl.handle.net/2078.1/154229

Qi, Z.J.; Rodriguez-Manzo, J.A.; Botello Mendez, Andrés Rafael; Hong, S.J.; Stach, E.A.; Park, Y.W.; Charlier, Jean-Christophe; Johnson, A.T.C.. Correlating atomic structure and transport in suspended graphene nanoribbons. In: Nano Letters : a journal dedicated to nanoscience and nanotechnology, Vol. 14, no. 8, p. 4238-4244 (2014/6/30). doi:10.1021/nl501872x. http://hdl.handle.net/2078.1/145737

Monthioux, M.; Charlier, Jean-Christophe. Given credit where credit is due: The Stone-(Thrower)-Wales designation revisited. In: Carbon, Vol. 75, p. 1-4 (2014). doi:10.1016/j.carbon.2014.03.054. http://hdl.handle.net/2078.1/145734

Leconte, Nicolas; Ortmann, F.; Cresti, A.; Charlier, Jean-Christophe; Roche, S.. Quantum transport in chemically functionalized graphene at high magnetic field: defect-induced critical states and breakdown of electron-hole symmetry. In: 2D Materials, Vol. 1, no. 2 (2014). doi:10.1088/2053-1583/1/2/021001. http://hdl.handle.net/2078.1/145736

Lherbier, Aurélien; Terrones, Humberto; Charlier, Jean-Christophe. Three-dimensional massless Dirac fermions in carbon schwarzites. In: Physical review. B, Condensed matter and materials physics, Vol. 90, no.12, p. 125434 (22 September 2014). doi:10.1103/PhysRevB.90.125434. http://hdl.handle.net/2078.1/155124

Randel, Jason C.; Niestemski, Francis C.; Botello Mendez, Andrés Rafael; Mar, Warren; Ndabashimiye, Georges; Melinte, Sorin; Dahl, Jeremy E.P.; Carlson, Robert M.K.; Butova, Ekaterina D.; Fokin, Andrey A.; Schreiner, Peter R.; Charlier, Jean-Christophe; Manoharan, Hari C.. Unconventional molecule-resolved current rectification in diamondoid-fullerene hybrids. In: Nature Communications, Vol. 5, p. 4877 (09/09/2014). doi:10.1038/ncomms5877. http://hdl.handle.net/2078.1/150818

2013

Campos Delgado, Jessica; Botello Mendez, Andrés Rafael; Algara-Siller, Gerardo; Hackens, Benoît; Pardoen, Thomas; Kaiser, Ute; Dresselhaus, Mildred S.; Charlier, Jean-Christophe; Raskin, Jean-Pierre. CVD synthesis of mono- and few-layer graphene using alcohols at low hydrogen concentration and atmospheric pressure. In: Chemical Physics Letters, Vol. 584, p. 142-146 (2013). doi:10.1016/j.cplett.2013.08.031. http://hdl.handle.net/2078.1/134943

Cretu, Ovidiu; Botello Mendez, Andrés Rafael; Janowska, Izabela; Pham-Huu, Cuong; Charlier, Jean-Christophe; Banhart, Florian. Electrical Transport Measured in Atomic Carbon Chains. In: Nano Letters : a journal dedicated to nanoscience and nanotechnology, Vol. 13, no. 8, p. 3487-3493 (2013). doi:10.1021/nl4018918. http://hdl.handle.net/2078.1/139191

Lherbier, Aurélien; Botello Mendez, Andrés Rafael; Charlier, Jean-Christophe. Electronic and transport properties of unbalanced sublattice N-doping in graphene. In: Nano Letters, Vol. 13, no.4, p. 1446-1450 (2013). doi:10.1021/nl304351z. http://hdl.handle.net/2078.1/128177

Lherbier, Aurélien; Roche, Stephan; Restrepo-Gutiérrez, Oscar Antonio; Niquet, Yann-Michel; Delcorte, Arnaud; Charlier, Jean-Christophe. Highly defective graphene: A key prototype of two-dimensional Anderson insulators. In: Nano Research, Vol. 6, p. 326-334 (2013). doi:10.1007/s12274-013-0309-7. http://hdl.handle.net/2078.1/128185

Berkdemir, Ayse; Gutiérrez, Humberto; Botello Mendez, Andrés Rafael; Perea-Lopez, Nestor; Elias, Ana Laura; Chia, Cheng-Ing; Wang, Bei; Crespi, Vincent H.; Lopez-Urias, Florentino; Charlier, Jean-Christophe; Terrones, Humberto; Terrones, Mauricio. Identification of individual and few layers of WS2 using Raman spectroscopy. In: Scientific Reports, Vol. 3, no. 1755 (30 April 2013). doi:10.1038/srep01755. http://hdl.handle.net/2078.1/130188

Botello Mendez, Andrés Rafael; Lherbier, Aurélien; Charlier, Jean-Christophe. Modeling electronic properties and quantum transport in doped and defective graphene. In: Solid State Communications, Vol. 175-176, p. 90-100 (2013). doi:10.1016/j.ssc.2013.08.029. http://hdl.handle.net/2078.1/137926

Dubois, Simon M-M; Declerck, Xavier; Charlier, Jean-Christophe; Payne, M.C.. Spin filtering and magneto-resistive effect at graphene/h-BN ribbons interface. In: ACS Nano, Vol. 7, no.5, p. 4578-4585 (May 1, 2013). doi:10.1021/nn401322t. http://hdl.handle.net/2078.1/130191

2012

Guillaume, Stéphane-Olivier; Zheng, Bing; Charlier, Jean-Christophe; Henrard, Luc. Electronic properties and STM images of doped bilayer graphene. In: Physical review. B, Condensed matter and materials physics, Vol. 85, no.035444, p. 1-6 (2012). doi:10.1103/PhysRevB.85.035444. http://hdl.handle.net/2078/117963

Joucken, Frédéric; Tison, Yann; Lagoute, Jérôme; Cabosart, Damien; Zheng, Bing; Botello Mendez, Andrés Rafael; Charlier, Jean-Christophe. Localized state and charge transfer in nitrogen-doped graphene. In: Physical review. B, Condensed matter and materials physics, Vol. 85, no.161408, p. 1-5 (2012). doi:10.1103/PhysRevB.85.161408. http://hdl.handle.net/2078/117958

Lv, Ruitao; Li, Qing; Botello Mendez, Andrés Rafael; Charlier, Jean-Christophe. Nitrogen-doped graphene: beyond single substitution and enhanced molecular sensing. In: Scientific Reports, Vol. 2, no. 586, p. 1-8 (August 2012). doi:10.1038/srep00586. http://hdl.handle.net/2078/117924

Roche, Stephan; Leconte, Nicolas; Ortmann, Frank; Lherbier, Aurélien; Soriano, David; Charlier, Jean-Christophe. Quantum transport in disordered graphene: A theoretical perspective. In: Solid State Communications, Vol. 152, p. 1404-1410 (2012). doi:10.1016/j.ssc.2012.04.030. http://hdl.handle.net/2078/117952

Zanolli, Zeila; Charlier, Jean-Christophe. Single-Molecule Sensing Using Carbon Nanotubes Decorated with Magnetic Clusters. In: ACS Nano, Vol. 6, no. 12, p. 10786–10791 (2012). doi:10.1021/nn304111a. http://hdl.handle.net/2078/119950

Lherbier, Aurélien; Dubois, Simon M-M; Declerck, Xavier; Niquet, Yann-Michel; Roche, Stephan; Charlier, Jean-Christophe. Transport properties of graphene containing structural defects. In: Physical review. B, Condensed matter and materials physics, Vol. 86, no.075402, p. 1-18 (2012). doi:10.1103/PhysRevB.86.075402. http://hdl.handle.net/2078/117951

2011

Savini, G.; Dappe, Y.J.; Öberg, S.; Charlier, Jean-Christophe; Katsnelson, M.I.; Fasolino, A.. Bending modes, elastic constants and mechanical stability of graphitic systems. In: Carbon, Vol. 49, p. 62-69. doi:10.1016/j.carbon.2010.08.042. http://hdl.handle.net/2078.1/97582

Zanolli, Zeila; Leghrib, Radouane; Felten, Alexandre; Pireaux, Jean-Jacques; Llobet, Eduard; Charlier, Jean-Christophe. Gas Sensing with Au-Decorated Carbon Nanotubes. In: Acs nano, Vol. 5, no. 6, p. 4592-4599 (2011). doi:10.1021/nn200294h. http://hdl.handle.net/2078/88954

Cheng, Daojian; Barcaro, Giovanni; Charlier, Jean-Christophe; Hou, Marc; Fortunelli, Alessandro. Homogeneous Nucleation of Graphitic Nanostructures from Carbon Chains on Ni(111). In: Journal of physical chemistry c, Vol. 115, no. 21, p. 10537-10543 (2011). doi:10.1021/jp2028092. http://hdl.handle.net/2078/88952

Leconte, Nicolas; Soriano, David; Roche, Stephan; Ordejon, Pablo; Charlier, Jean-Christophe; Palacios, J. J.. Magnetism-Dependent Transport Phenomena in Hydrogenated Graphene: From Spin-Splitting to Localization Effects. In: Acs nano, Vol. 5, no. 5, p. 3987-3992 (2011). doi:10.1021/nn200558d. http://hdl.handle.net/2078/89225

Soriano, David; Leconte, Nicolas; Ordejon, Pablo; Charlier, Jean-Christophe; Palacios, Juan-Jose; Roche, Stephan. Magnetoresistance and Magnetic Ordering Fingerprints in Hydrogenated Graphene. In: Physical review letters, Vol. 107, no. 1, p. 016602 (2011). doi:10.1103/PhysRevLett.107.016602. http://hdl.handle.net/2078/88948

Perea-Lopez, Nestor; Rebollo-Plata, Bernabe; Antonio Briones-Leon, Juan; Morelos-Gomez, Aaron; Hernandez-Cruz, Daniel; Hirata, Gustavo A.; Meunier, Vincent; Botello Mendez, Andrés Rafael; Charlier, Jean-Christophe; Maruyama, Benji; Munoz-Sandoval, Emilio; Lopez-Urias, Florentino; Terrones, Mauricio; Terrones, Humberto. Millimeter-Long Carbon Nanotubes: Outstanding Electron-Emitting Sources. In: Acs nano, Vol. 5, no. 6, p. 5072-5077 (2011). doi:10.1021/nn201149y. http://hdl.handle.net/2078/88955

Botello Mendez, Andrés Rafael; Declerck, Xavier; Terrones, M.; Terrones, H.; Charlier, Jean-Christophe. One-dimensional extended lines of divacancy-defects in Graphene. In: Nanoscale, Vol. 3, p. 2868-2872. doi:10.1039/C0NR00820F. http://hdl.handle.net/2078.1/97591

Cruz-Silva, Eduardo; Lopez-Urias, Florentino; Munoz-Sandoval, Emilio; Sumpter, Bobby G.; Terrones, Humberto; Charlier, Jean-Christophe; Meunier, Vincent; Terrones, Mauricio. Phosphorus and phosphorus-nitrogen doped carbon nanotubes for ultrasensitive and selective molecular detection. In: Nanoscale, Vol. 3, no. 3, p. 1008-1013 (2011). doi:10.1039/c0nr00519c. http://hdl.handle.net/2078/89227

Botello Mendez, Andrés Rafael; Cruz-Silva, Eduardo; Romo-Herrera, Jose M.; Lopez-Urias, Florentino; Terrones, Mauricio; Sumpter, Bobby G.; Terrones, Humberto; Charlier, Jean-Christophe; Meunier, Vincent. Quantum Transport in Graphene Nanonetworks. In: Nano letters, Vol. 11, no. 8, p. 3058-3064 (2011). doi:10.1021/nl2002268. http://hdl.handle.net/2078/88842

Leconte, Nicolas; Lherbier, Aurélien; Varchon, François; Ordejon, P.; Roche, S.; Charlier, Jean-Christophe. Quantum transport in chemically modified two-dimensional graphene: From minimal conductivity to Anderson localization. In: Physical review. B, Condensed matter and materials physics, Vol. 84, no. 235420, p. 1-12 (2011). doi:10.1103/PhysRevB.84.235420. http://hdl.handle.net/2078.1/95490

Lherbier, Aurélien; Dubois, Simon M-M; Declerck, Xavier; Roche, Stephan; Niquet, Yann-Michel; Charlier, Jean-Christophe. Two-Dimensional Graphene with Structural Defects: Elastic Mean Free Path, Minimum Conductivity, and Anderson Transition. In: Physical Review Letters, Vol. 106, no. 4, p. 046803 (2011). doi:10.1103/PhysRevLett.106.046803. http://hdl.handle.net/2078/89226

2010

Leconte, Nicolas; Moser, Joël; Ordejón, Pablo; Tao, Haihua; Lherbier, Aurélien; Bachtold, Adrian; Alsina, Francesc; Sotomayor Torres, Clivia M; Charlier, Jean-Christophe; Roche, Stephan. Damaging graphene with ozone treatment: a chemically tunable metal-insulator transition.. In: ACS nano, no. 7, p. 4033-8 (2010). http://hdl.handle.net/2078.1/33173

Terrones, Mauricio; Botello Mendez, Andrés Rafael; Campos Delgado, Jessica; López-Urías, Florentino; Vega-Cantú, Yadira I.; Rodríguez-Macías, Fernando J.; Elías, Ana Laura; Muñoz-Sandoval, Emilio; Cano-Márquez, Abraham G.; Charlier, Jean-Christophe; Terrones, Humberto. Graphene and graphite nanoribbons: Morphology, properties, synthesis, defects and applications. In: Nano Today, Vol. 5, no. 4, p. 351-372. doi:10.1016/j.nantod.2010.06.010. http://hdl.handle.net/2078.1/154230

Biel, Blanca; Cresti, Alessandro; Avriller, Remi; Dubois, Simon M-M; Charlier, Jean-Christophe. Mobility gaps in disordered graphene‐based materials: an ab initio‐based tight‐binding approach to mesoscopic transport. In: Physica Status Solidi. C: Current Topics in Solid State Physics, Vol. 7, no. 11–12, p. 2628-2631 (2010). doi:10.1002/pssc.200983826. http://hdl.handle.net/2078.1/154850

Zanolli, Zeila; Onida, Giovanni; Charlier, Jean-Christophe. Quantum Spin Transport in Carbon Chains.. In: ACS Nano, Vol. 4, no. 9, p. 5174-5180 (2010). doi:10.1021/nn100712q. http://hdl.handle.net/2078.1/33205

Dubois, Simon M-M; Lopez-Bezanilla, Alejandro; Cresti, Alessandro; Triozon, François; Biel, Blanca; Roche, Stephan; Charlier, Jean-Christophe. Quantum Transport in Graphene Nanoribbons: Effects of Edge Reconstruction and Chemical Reactivity.. In: ACS nano, Vol. 4, no. 4, p. 1971-6 (2010). doi:10.1021/nn100028q. http://hdl.handle.net/2078.1/31313

Zanolli, Zeila; Charlier, Jean-Christophe. Spin transport in carbon nanotubes with magnetic vacancy-defects. In: Physical review. B, Condensed matter and materials physics, Vol. 81, no. 16, p. 165406 (2010). doi:10.1103/PhysRevB.81.165406. http://hdl.handle.net/2078.1/33902

2009

Charlier, Jean-Christophe; Arnaud, L.; Avilov, I V; Delgado, M.; Demoisson, F; Espinosa, E H; Ewels, C P; Felten, Alexandre; Guillot, J; Ionescu, R; Leghrib, R; Llobet, E; Mansour, A; Migeon, H-N; Pireaux, Jean-Jacques; Reniers, F; Suarez-Martinez, I; Watson, G E; Zanolli, Zeila. Carbon nanotubes randomly decorated with gold clusters: from nano2hybrid atomic structures to gas sensing prototypes.. In: Nanotechnology, Vol. 20, no. 37, p. 375501 (2009). doi:10.1088/0957-4484/20/37/375501. http://hdl.handle.net/2078.1/23839

Zanolli, Zeila; Charlier, Jean-Christophe. Defective carbon nanotubes for single-molecule sensing. In: Physical review. B, Condensed matter and materials physics, Vol. 80, no. 15, p. 155447 (2009). doi:10.1103/PhysRevB.80.155447. http://hdl.handle.net/2078.1/35195

Moors, Matthieu; Amara, Hakim; Visart de Bocarmé, Thierry; Bichara, Christophe; Ducastelle, François; Kruse, Norbert; Charlier, Jean-Christophe. Early Stages in the Nucleation Process of Carbon Nanotubes.. In: ACS nano, Vol. 3, no. 3, p. 511-6 (2009). doi:10.1021/nn800769w. http://hdl.handle.net/2078.1/21464

Cruz-Silva, Eduardo; Lopez-Urias, Florentino; Munoz-Sandoval, Emilio; Sumpter, Bobby G.; Terrones, Humberto; Charlier, Jean-Christophe; Meunier, Vincent; Terrones, Mauricio. Electronic Transport and Mechanical Properties of Phosphorus- and Phosphorus-Nitrogen-Doped Carbon Nanotubes. In: ACS Nano, Vol. 3, no. 7, p. 1913-1921 (2009). doi:10.1021/nn900286h. http://hdl.handle.net/2078.1/35452

Dubois, Simon M-M; Zanolli, Zeila; Declerck, Xavier; Charlier, Jean-Christophe. Electronic properties and quantum transport in Graphene-based nanostructures. In: European Physical Journal B. Condensed Matter and Complex Systems, Vol. 72, no. 1, p. 1-24 (2009). doi:10.1140/epjb/e2009-00327-8. http://hdl.handle.net/2078.1/35187

2008

Terrones, Mauricio; Charlier, Jean-Christophe; Gloter, A; Cruz-Silva, E.; Terrés, E; Li, Y.; Vinu, A; Zanolli, Zeila; Dominguez, J; Terrones, Humberto; Bando, Y; Golberg, D. Experimental and Theoretical Studies Suggesting the Possibility of Metallic Boron Nitride Edges in Porous Nanourchins.. In: Nano letters, Vol. 8, no. 4, p. 1026-32 (2008). doi:10.1021/nl072713m. http://hdl.handle.net/2078.1/11320

Cruz-Silva, Eduardo; Cullen, David A.; Gu, Lin; Romo-Herrera, Jose Manuel; Munoz-Sandoval, Emilio; Lopez-Urias, Florentino; Sumpter, Bobby G.; Meunier, Vincent; Charlier, Jean-Christophe; Smith, David J.; Terrones, Humberto; Terrones, Mauricio. Heterodoped nanotubes: Theory, synthesis, and characterization of phosphorus-nitrogen doped multiwalled carbon nanotubes. In: ACS Nano, Vol. 2, no. 3, p. 441-448 (2008). doi:10.1021/nn700330w. http://hdl.handle.net/2078.1/36728

Rignanese, Gian-Marco; Charlier, Jean-Christophe. Hypothetical three-dimensional all-sp2 carbon phase. In: Physical Review B, Vol. 78, no. 12, p. 125415 (2008). doi:10.1103/PhysRevB.78.125415. http://hdl.handle.net/2078.1/36343

Charlier, Jean-Christophe. Quantum transport in carbon nanostructures. In: Quantum transport in carbon nanostructures. http://hdl.handle.net/2078.1/94701

2007

Charlier, Jean-Christophe; Amara, H.; Lambin, Philippe. Catalytically assisted tip growth mechanism for single-wall carbon nanotubes.. In: ACS nano, Vol. 1, no. 3, p. 202-7 (2007). doi:10.1021/nn700049q. http://hdl.handle.net/2078.1/22152

Charlier, Jean-Christophe; Blase, Xavier; Roche, Stephan. Electronic and transport properties of nanotubes. In: Reviews of Modern Physics, Vol. 79, p. 677-732 (2007). doi:10.1103/RevModPhys.79.677. http://hdl.handle.net/2078/31167

Ewels, Christopher P.; Van Lier, Gregory; Geerlings, Paul; Charlier, Jean-Christophe. Meta-code for systematic analysis of chemical addition (SACHA): Application to fluorination of C-70 and carbon nanostructure growth. In: Journal of Chemical Information and Modeling, Vol. 47, no. 6, p. 2208-2215 (2007). doi:10.1021/6700121z. http://hdl.handle.net/2078.1/37193

Charlier, Jean-Christophe. Quantum transport in carbon nanotubes : effects of doping, defects and randomly physisorbed molecules. In: Nano-newsletter, p. 12-15 (2007). http://hdl.handle.net/2078.1/94706

Amara, H.; Latil, S.; Meunier, V.; Lambin, Philippe; Charlier, Jean-Christophe. Scanning tunneling microscopy fingerprints of point defects in graphene: A theoretical prediction. In: Physical review. B, Condensed matter and materials physics, Vol. 76, no. 11, p. 115423 (2007). doi:10.1103/PhysRevB.76.115423. http://hdl.handle.net/2078.1/38032

2006

Dubois, Simon M-M; Rignanese, Gian-Marco; Pardoen, Thomas; Charlier, Jean-Christophe. Ideal strength of silicon: An ab initio study. In: Physical review B. Condensed matter and materials physics, Vol. 74, no. 23, p. 235203 (2006). doi:10.1103/PhysRevB.74.235203. http://hdl.handle.net/2078.1/37859

Charlier, Jean-Christophe. La physique dans le nanomonde. In: Louvain / Université catholique de Louvain, no. 163, p. 15-17. http://hdl.handle.net/2078.1/94711

Ionescu, R; Espinosa, EH; Sotter, E; Llobet, E; Vilanova, X.; Correig, X.; Felten, Alexandre; Bittencourt, Carla; Van Lier, Gregory; Charlier, Jean-Christophe; Pireaux, Jean-Jacques. Oxygen functionalisation of MWNT and their use as gas sensitive thick-film layers. In: Sensors and Actuators B: Chemical : international journal devoted to research and development of physical and chemical transducers, Vol. 113, no. 1, p. 36-46 (2006). doi:10.1016/j.snb.2005.02.020. http://hdl.handle.net/2078.1/38887

Ewels, CP; Van Lier, Gregory; Charlier, Jean-Christophe; Heggie, MI; Briddon, PR. Pattern formation on carbon nanotube surfaces. In: Physical Review Letters, Vol. 96, no. 21, p. 216103 (2006). doi:10.1103/PhysRevLett.96.216103. http://hdl.handle.net/2078.1/38443

Fantini, C; Cruz, E; Jorio, A; Terrones, Mauricio; Terrones, Humberto; Van Lier, Gregory; Charlier, Jean-Christophe; Dresselhaus, MS.; Saito, R; Kim, YA; Hayashi, T; Muramatsu, H; Endo, M.; Pimenta, MA. Resonance Raman study of linear carbon chains formed by the heat treatment of double-wall carbon nanotubes. In: Physical review. B, Condensed matter and materials physics, Vol. 73, no. 19, p. 193408 (2006). doi:10.1103/PhysRevB.73.193408. http://hdl.handle.net/2078.1/38444

Loiseau, A.; Blase, X.; Charlier, Jean-Christophe; Gadelle, P.; Journet, C.; Laurent, Ch.; Peigney, A.. Synthesis Methods and Growth mechanisms. In: Lecture Notes in Physics, Vol. 677, no. 2006, p. 49-130 (2006). doi:10.1007/3-540-37586-4_2. http://hdl.handle.net/2078.1/94409

2005

Tournus, F; Charlier, Jean-Christophe. Ab initio study of benzene adsorption on carbon nanotubes. In: Physical review. B, Condensed matter and materials physics, Vol. 71, no. 16, p. 165421 (2005). doi:10.1103/PhysRevB.71.165421. http://hdl.handle.net/2078.1/39381

Endo, M.; Muramatsu, H; Hayashi, T; Kim, YA; Van Lier, Gregory; Charlier, Jean-Christophe; Terrones, Humberto; Terrones, Mauricio; Dresselhaus, MS.. Atomic nanotube welders: Boron interstitials triggering connections in double-walled carbon nanotubes. In: Nano Letters : a journal dedicated to nanoscience and nanotechnology, Vol. 5, no. 6, p. 1099-1105 (2005). doi:10.1021/nl050627l. http://hdl.handle.net/2078.1/39303

Okuno, H; Issi, JP.; Charlier, Jean-Christophe. Catalyst assisted synthesis of carbon nanotubes using the oxy-acetylene combustion flame method. In: Carbon, Vol. 43, no. 4, p. 864-866 (2005). doi:10.1016/j.carbon.2004.10.041. http://hdl.handle.net/2078.1/39518

Latil, S.; Roche, S; Charlier, Jean-Christophe. Electronic transport in carbon nanotubes with random coverage of physisorbed molecules. In: Nano Letters : a journal dedicated to nanoscience and nanotechnology, Vol. 5, no. 11, p. 2216-2219 (2005). doi:10.1021/nl0514386. http://hdl.handle.net/2078.1/38971

Tournus, F; Charlier, Jean-Christophe; Melinon, P. Mutual orientation of two C-60 molecules: An ab initio study. In: Journal of Chemical Physics, Vol. 122, no. 9 (2005). doi:10.1063/1.1855884. http://hdl.handle.net/2078.1/39502

Fulcheri, L.; Gruenberger, T.M.; Gonzalez-Aguilar, J.; Fabry, F.; Grivei, E.; Probst, N.; Flamant, G.; Okuno, H.; Charlier, Jean-Christophe. Plasma processing of carbon materials. In: Catalyst Preparation Handbook, . http://hdl.handle.net/2078.1/145244

Felten, Alexandre; Bittencourt, C.; Pireaux, Jean-Jacques; Van Lier, G.; Charlier, Jean-Christophe. RF-Plasma functionalisation of the carbon nanotube surface: O2, NH3, CF4 treatment. In: Journal of Applied Physics, Vol. 98, p. 074308 (2005). doi:10.1063/1.2071455. http://hdl.handle.net/2078.1/113009

Biro, L.P.; Mark, G.I.; Koos, A.A.; Horvath, Z.E.; Charlier, Jean-Christophe. Regularly curved carbon nanotubes. In: Fullerenes, Nanotubes, and Carbon Nanostructures, Vol. 13, no. S1, p. 523-533 (2005). doi:10.1081/FST-200039482. http://hdl.handle.net/2078.1/113008

Connetable, D; Rignanese, Gian-Marco; Charlier, Jean-Christophe; Blase, X. Room temperature Peierls distortion in small diameter nanotubes. In: Physical Review Letters, Vol. 94, no. 1 (2005). doi:10.1103/PhysRevLett.94.015503. http://hdl.handle.net/2078.1/39602

Okuno, H; Palnichenko, A; Despres, JF.; Issi, JP.; Charlier, Jean-Christophe. Synthesis of graphite polyhedral crystals using a combustion flame method. In: Carbon, Vol. 43, no. 4, p. 692-697 (2005). doi:10.1016/j.carbon.2004.10.033. http://hdl.handle.net/2078.1/39517

Gruenberger, T.M.; Gonzalez-Aguilar, J.; Fulcheri, L.; Okuno, Hanako; Charlier, Jean-Christophe. Tailor-made carbon nanomaterials for bulk applications via high-intensity arc plasma. In: Fullerenes, Nanotubes, and Carbon Nanostructures, Vol. 13, no. S1, p. 67-75 (2005). doi:10.1081/FST-200039210. http://hdl.handle.net/2078.1/113007

Van Lier, Gregory; Ewels, Christopher P.; Zuliani, Filippo; De Vita, Allesandro; Charlier, Jean-Christophe. Theoretical analysis of fluorine addition to single-walled carbon nanotubes: functionalization routes and addition patterns.. In: The journal of physical chemistry. B, Vol. 109, no. 13, p. 6153-8 (2005). doi:10.1021/jp046005q. http://hdl.handle.net/2078.1/10652

Verstraete, MJ; Charlier, Jean-Christophe. Why is iridium the best substrate for single crystal diamond growth?. In: Applied Physics Letters, Vol. 86, no. 19, p. 191917 (2005). doi:10.1063/1.1922571. http://hdl.handle.net/2078.1/39311

Tournus, F; Latil, S.; Heggie, MI; Charlier, Jean-Christophe. pi-stacking interaction between carbon nanotubes and organic molecules. In: Physical review. B, Condensed matter and materials physics, Vol. 72, no. 7, p. 075431 (2005). doi:10.1103/PhysRevB.72.075431. http://hdl.handle.net/2078.1/39143

2004

Breton, Y; Fleurier, R; Salvetat, JP; Thomann, AL; Verstraete, Matthieu J.; Charlier, Jean-Christophe. Catalyst consumption during growth of carbon nanofilaments on Pd seeds. In: Applied Physics Letters, Vol. 85, no. 22, p. 5376-5378 (2004). doi:10.1063/1.1829381. http://hdl.handle.net/2078.1/39687

Dresselhaus, MS.; Dresselhaus, G.; Charlier, Jean-Christophe; Hernandez, E. Electronic, thermal and mechanical properties of carbon nanotubes. In: Royal Society of London. Philosophical Transactions. Mathematical, Physical and Engineering Sciences, Vol. 362, no. 1823, p. 2065-2098 (2004). doi:10.1098/rsta.2004.1430. http://hdl.handle.net/2078.1/39920

Rignanese, Gian-Marco; Charlier, Jean-Christophe; Gonze, Xavier. First-principles molecular-dynamics investigation of the hydration mechanisms of the (0001) alpha-quartz surface. In: Physical Chemistry Chemical Physics, Vol. 6, no. 8, p. 1920-1925 (2004). doi:10.1039/b311842h. http://hdl.handle.net/2078.1/61289

Rocquefelte, X; Rignanese, Gian-Marco; Meunier, V.; Terrones, Humberto; Terrones, Mauricio; Charlier, Jean-Christophe. How to identify Haeckelite structures: A theoretical study of their electronic and vibrational properties. In: Nano Letters, Vol. 4, no. 5, p. 805-810 (2004). doi:10.1021/nl049879x. http://hdl.handle.net/2078.1/40191

Latil, Sylvain; Roche, Stephan; Mayou, Didier; Charlier, Jean-Christophe. Mesoscopic transport in chemically doped carbon nanotubes.. In: Physical Review Letters, Vol. 92, no. 25 Pt 1, p. 256805 (2004). doi:10.1103/PhysRevLett.92.256805. http://hdl.handle.net/2078.1/9895

Terrones, M.; Jorio, A.; Rao, A.M.; Kim, Y.A.; Hayashi, T.; Terrones, H.; Charlier, Jean-Christophe; Dresselhaus, G.; Dresselhaus, M.S.. New direction in nanotube science. In: Materials Today, , p. 30-45 (October 2004). http://hdl.handle.net/2078.1/145254

Fulcheri, L.; Gruenberger, T.M.; Gonzalez-Aguilar, J.; Okuno, Hanako; Charlier, Jean-Christophe. Plasma processing of carbon nanomaterials. In: High Temperature Materials and Processes, Vol. 8, p. 119-138 (2004). doi:10.1615/HighTempMatProc.v8.i1. http://hdl.handle.net/2078.1/112996

Gruenberger, T.M.; Gonzalez-Aguilar, J.; Fabry, F.; Okuno, Hanako; Charlier, Jean-Christophe. Production of carbon nanotubes and other nanostructures via continuous 3-phase AC plasma processing. In: Fullerenes, Nanotubes, and Carbon Nanostructures, Vol. 12, no. 3, p. 571-581 (2004). doi:10.1081/FST-200026940. http://hdl.handle.net/2078.1/112994

Palnichenko, AV; Mátéfi-Tempfli, Maria-Rita; Mátéfi-Tempfli, Stefan; Issi, JP.; Piraux, Luc; Charlier, Jean-Christophe. Selective formation of diamond-like carbon coating by surface catalyst patterning. In: Carbon, Vol. 42, no. 8-9, p. 1879-1882 (2004). doi:10.1016/j.carbon.2004.03.004.. http://hdl.handle.net/2078.1/40148

Okuno, H; Grivei, E.; Fabry, F; Gruenberger, TM; Gonzalez-Aguilar, J; Palnichenko, A; Fulcheri, L; Probst, N.; Charlier, Jean-Christophe. Synthesis of carbon nanotubes and nano-necklaces by thermal plasma process. In: Carbon, Vol. 42, no. 12-13, p. 2543-2549 (2004). doi:10.1016/j.carbon.2004.05.037. http://hdl.handle.net/2078.1/39999

Yoon, M; Han, SW; Kim, G; Lee, SB; Berber, S; Osawa, E; Ihm, J; Terrones, Mauricio; Banhart, F.; Charlier, Jean-Christophe; Grobert, N.; Terrones, Humberto; Ajayan, P.M.; Tomanek, D. Zipper mechanism of nanotube fusion: Theory and experiment. In: Physical Review Letters, Vol. 92, no. 7 (2004). doi:10.1103/PhysRevLett.92.075504. http://hdl.handle.net/2078.1/40250

2003

Verstraete, Matthieu J.; Charlier, Jean-Christophe. Ab initio study of MoS2 nanotube bundles. In: Physical review. B, Condensed matter and materials physics, Vol. 68, no. 4 (2003). doi:10.1103/PhysRevB.68.045423. http://hdl.handle.net/2078.1/40791

Charlier, Jean-Christophe; Terrones, M.; Banhart, F.; Grobert, N.; Terrones, H.; Ajayan, P.M.. Experimental observation and quantum modeling of electron irradiation on single-wall nanotubes. In: IEEE Transactions on Nanotechnology, Vol. 2, no. 4, p. 349-354 (2003). doi:10.1109/TNANO.2003.820519. http://hdl.handle.net/2078/112993

Hernandez, E; Meunier, V.; Smith, BW; Rurali, R; Terrones, Humberto; Nardelli, MB; Terrones, Mauricio; Luzzi, DE; Charlier, Jean-Christophe. Fullerene coalescence in nanopeapods: A path to novel tubular carbon. In: Nano Letters : a journal dedicated to nanoscience and nanotechnology, Vol. 3, no. 8, p. 1037-1042 (2003). doi:10.1021/nl034283f. http://hdl.handle.net/2078.1/40835

Choi, YM; Lee, DS; Czerw, R; Chiu, PW; Grobert, N.; Terrones, Mauricio; Reyes-Reyes, M; Terrones, Humberto; Charlier, Jean-Christophe; Ajayan, P.M.; Roth, S; Carroll, DL; Park, YW. Nonlinear behavior in the thermopower of doped carbon nanotubes due to strong, localized states. In: Nano Letters : a journal dedicated to nanoscience and nanotechnology, Vol. 3, no. 6, p. 839-842 (2003). doi:10.1021/nl034161n. http://hdl.handle.net/2078.1/40958

Meunier, Vincent; Buongiorno Nardelli, Marco; Berhnolc, J.; Zacharia, Thomas; Charlier, Jean-Christophe. Response to « Comment on Intrinsic electronic transport properties of carbon nanotube Y-junctions » (APL83-1074-2003). In: Applied Physics Letters, Vol. 83, no. 8, p. 1076-1077 (2003). doi:10.1063/1.1604949. http://hdl.handle.net/2078/112991

2002

Charlier, Jean-Christophe. Defects in carbon nanotubes.. In: Accounts of chemical research, Vol. 35, no. 12, p. 1063-9 (2002). doi:10.1021/ar010166k. http://hdl.handle.net/2078.1/23998

Terrones, Mauricio; Terrones, Mauricio; Terrones, Humberto; Ajayan, P.M.; Banhart, F.; Blase, X; Carroll, DL; Czerw, R; Foley, B; Foley, B; Charlier, Jean-Christophe; Kamalakaran, R; Kohler-Redlich, PH; Ruhle, M; Seeger, T; Grobert, N.. Doping and connecting carbon nanotubes. In: Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, Vol. 387, p. 275-286 (2002). doi:10.1080/10587250215249. http://hdl.handle.net/2078.1/41342

Charlier, Jean-Christophe; Terrones, Mauricio; Baxendale, M; Meunier, V.; Zacharia, T; Rupesinghe, NL; Hsu, WK; Grobert, N.; Terrones, Humberto; Amaratunga, GAJ. Enhanced electron field emission in B-doped carbon nanotubes. In: Nano Letters : a journal dedicated to nanoscience and nanotechnology, Vol. 2, no. 11, p. 1191-1195 (2002). doi:10.1021/nl0256457. http://hdl.handle.net/2078.1/41520

Rignanese, Gian-Marco; Charlier, Jean-Christophe; Gonze, Xavier. First-principles study of vibrational and dielectric properties of C3N4 polymorphs. In: Physical Review B, Vol. 66, no. 20, p. 205416 (2002). doi:10.1103/PhysRevB.66.205416. http://hdl.handle.net/2078.1/41339

Meunier, Vincent; Buongiorno Nardelli, Marco; Berhnolc, J.; Zacharia, Thomas; Charlier, Jean-Christophe. Intrinsic electronic transport properties of carbon nanotube Y-junctions. In: Applied Physics Letters, Vol. 81, p. 5234-5236 (2002). doi:10.1063/1.1533842. http://hdl.handle.net/2078.1/112989

Gavillet, J; Loiseau, Anne-Françoise; Ducastelle, F.; Thair, S; Bernier, P; Stephan, O; Thibault, J.; Charlier, Jean-Christophe. Microscopic mechanisms for the catalyst assisted growth of single-wall carbon nanotubes. In: Carbon, Vol. 40, no. 10, p. 1649-1663 (2002). doi:10.1016/S0008-6223(02)00007-6. http://hdl.handle.net/2078.1/41746

Terrones, M.; Banhart, F.; Grobert, N.; Charlier, Jean-Christophe; Terrones, H.; Ajayan, P.M.. Molecular Junctions by Joining Single-Walled Carbon Nanotubes. In: Physical Review Letters, Vol. 89, p. 075505 (2002). doi:10.1103/PhysRevLett.89.075505. http://hdl.handle.net/2078/30875

Terrones, Mauricio; Ajayan, P.M.; Banhart, F.; Blase, X; Carroll, DL; Charlier, Jean-Christophe; Czerw, R; Foley, B; Grobert, N.; Kamalakaran, R; Kohler-Redlich, P; Ruhle, M; Seeger, T; Terrones, Humberto. N-doping and coalescence of carbon nanotubes: synthesis and electronic properties. In: Applied Physics A : materials science & processing, Vol. 74, no. 3, p. 355-361 (2002). doi:10.1007/s003390201278. http://hdl.handle.net/2078.1/42075

Charlier, Jean-Christophe. Topology and electronic properties of carbon nanotubes. In: Acta Technica Belgica. Revue H F: Electricite Courants Faibles. Electronique Telecommunications, , no. 3, p. 27-35 (2002). http://hdl.handle.net/2078.1/66229

Charlier, Jean-Christophe. Topology and electronic properties of carbon nanotubes. In: Revue HYPERFREQUENCE Tijdschrift, , no.3/2002 (2002). http://hdl.handle.net/2078.1/145270

Terrones, Mauricio; Charlier, Jean-Christophe; Banhart, F.; Grobert, N.; Terrones, Humberto; Ajayan, P.M.. Towards nanodevice fabrication: Joining and connecting single-walled carbon nanotubes. In: New Diamond and Frontier Carbon Technology : an international journal on newdiamond, frontier carbon and related materials, Vol. 12, no. 5, p. 315-323 (2002). http://hdl.handle.net/2078.1/41538

2001

Charlier, Jean-Christophe; Rignanese, Gian-Marco. Electronic structure of carbon nanocones.. In: Physical Review Letters, Vol. 86, no. 26, p. 5970-5973 (2001). doi:10.1103/PhysRevLett.86.5970. http://hdl.handle.net/2078.1/8866

Charlier, Jean-Christophe; Iijima, S. Growth mechanisms of carbon nanotubes. In: Topics in Applied Physics, Vol. 80, p. 55-80 (2001). doi:10.1007/3-540-39947-X_4. http://hdl.handle.net/2078.1/42611

Czerw, R; Terrones, Mauricio; Charlier, Jean-Christophe; Blase, X; Foley, B; Kamalakaran, R; Grobert, N.; Terrones, Humberto; Tekleab, D; Ajayan, P.M.; Blau, W; Ruhle, M; Carroll, DL. Identification of electron donor states in N-doped carbon nanotubes. In: Nano Letters : a journal dedicated to nanoscience and nanotechnology, Vol. 1, no. 9, p. 457-460 (2001). doi:10.1021/nl015549q. http://hdl.handle.net/2078.1/42162

Banhart, F.; Grobert, N.; Terrones, Mauricio; Charlier, Jean-Christophe; Ajayan, P.M.. Metal atoms in carbon nanotubes and related nanoparticles. In: International Journal of Modern Physics B : condensed matter physics; statistical physics; applied physics, Vol. 15, no. 31, p. 4037-4069 (2001). doi:10.1142/S0217979201007944. http://hdl.handle.net/2078.1/42181

Gavillet, J; Loiseau, Anne-Françoise; Journet, C; Willaime, F; Ducastelle, F.; Charlier, Jean-Christophe. Root-growth mechanism for single-wall carbon nanotubes. In: Physical Review Letters, Vol. 87, no. 27 (2001). doi:10.1103/PhysRevLett.87.275504. http://hdl.handle.net/2078.1/42234

2000

Terrones, Mauricio; Terrones, Humberto; Banhart, F.; Charlier, Jean-Christophe; Ajayan, P.M.. Coalescence of single-walled carbon nanotubes. In: Science, Vol. 288, no. 5469, p. 1226-1229 (2000). doi:10.1126/science.288.5469.1226. http://hdl.handle.net/2078.1/43547

Stirling, Andras; Pasquarello, Alfredo; Charlier, Jean-Christophe; Car, Roberto. Dangling bond defects at Si-SiO2 interfaces : atomic structure of the Pb1 center. In: Physical Review Letters, Vol. 85, p. 2773-2776 (2000). doi:10.1103/PhysRevLett.85.2773. http://hdl.handle.net/2078.1/112879

Banhart, F.; Charlier, Jean-Christophe; Ajayan, P.M.. Dynamic behavior of nickel atoms in graphitic networks. In: Physical Review Letters, Vol. 84, no. 4, p. 686-689 (2000). doi:10.1103/PhysRevLett.84.686. http://hdl.handle.net/2078.1/43770

Rignanese, Gian-Marco; De Vita, A; Charlier, Jean-Christophe; Gonze, Xavier; Car, R. First-principles molecular-dynamics study of the (0001) alpha-quartz surface. In: Physical Review B, Vol. 61, no. 19, p. 13250-13255 (2000). doi:10.1103/PhysRevB.61.13250. http://hdl.handle.net/2078.1/43527

Benyoub, Sadia; Beuken, Jean-Michel; Charlier, Jean-Christophe; Minet, Jean-Paul; Issi, Jean-Paul. Growth and agglomeration of carbon materials under microgravity conditions. In: Space Scientific Research in Belgium, Microgravity 1994-2000, Vol. 1, p. 35-50 (2000). http://hdl.handle.net/2078.1/145273

Terrones, Humberto; Terrones, Mauricio; Hernandez, E; Grobert, N.; Charlier, Jean-Christophe; Ajayan, P.M.. New metallic allotropes of planar and tubular carbon. In: Physical Review Letters, Vol. 84, no. 8, p. 1716-1719 (2000). doi:10.1103/PhysRevLett.84.1716. http://hdl.handle.net/2078.1/43715

1999

Blase, X; Charlier, Jean-Christophe; De Vita, A; Car, R; Redlich, P; Terrones, Mauricio; Hsu, WK; Terrones, Humberto; Carroll, DL; Ajayan, P.M.. Boron-mediated growth of long helicity-selected carbon nanotubes. In: Physical Review Letters, Vol. 83, no. 24, p. 5078-5081 (1999). doi:10.1103/PhysRevLett.83.5078. http://hdl.handle.net/2078.1/44008

Palnichenko, AV; Jonas, Alain M.; Charlier, Jean-Christophe; Aronin, AS; Issi, JP.. Diamond formation by thermal activation of graphite. In: Nature : international weekly journal of science, Vol. 402, no. 6758, p. 162-165 (1999). doi:10.1038/46000. http://hdl.handle.net/2078.1/44061

De Vita, A; Charlier, Jean-Christophe; Blase, X; Car, R. Electronic structure at carbon nanotube tips. In: Applied Physics A : materials science & processing, Vol. 68, no. 3, p. 283-286 (1999). doi:10.1007/s003390050889. http://hdl.handle.net/2078.1/44603

Charlier, Jean-Christophe; Blase, X; De Vita, A; Car, R. Microscopic growth mechanisms for carbon and boron-nitride nanotubes. In: Applied Physics A : materials science & processing, Vol. 68, no. 3, p. 267-273 (1999). doi:10.1007/s003390050887. http://hdl.handle.net/2078.1/44602

Blase, X; Charlier, Jean-Christophe; De Vita, A; Car, R. Structural and electronic properties of composite BxCyNz nanotubes and heterojunctions. In: Applied Physics A : materials science & processing, Vol. 68, no. 3, p. 293-300 (1999). doi:10.1007/s003390050891. http://hdl.handle.net/2078.1/44604

Charlier, Jean-Christophe. Tiny pipes with a big future. In: Science Spectra, Vol. 17, p. 64-69 (1999). http://hdl.handle.net/2078.1/145288

1998

Charlier, Jean-Christophe; Gonze, Xavier; Peeters, D.. Des Molécules aux Matériaux. In: Louvain, , no.91, p. 22-25 (1998). http://hdl.handle.net/2078.1/145293

Carroll, DL; Redlich, P; Blase, X; Charlier, Jean-Christophe; Curran, S; Ajayan, P.M.; Roth, S; Ruhle, M. Effects of nanodomain formation on the electronic structure of doped carbon nanotubes. In: Physical Review Letters, Vol. 81, no. 11, p. 2332-2335 (1998). doi:10.1103/PhysRevLett.81.2332. http://hdl.handle.net/2078.1/45076

Charlier, Jean-Christophe; Issi, JP.. Electronic structure and quantum transport in carbon nanotubes. In: Applied Physics A : materials science & processing, Vol. 67, no. 1, p. 79-87 (1998). doi:10.1007/s003390050741. http://hdl.handle.net/2078.1/45222

Charlier, Jean-Christophe; Lambin, Philippe. Electronic structure of carbon nanotubes with chiral symmetry. In: Physical review. B, Condensed matter and materials physics, Vol. 57, no. 24, p. 15037-15039 (1998). doi:10.1103/PhysRevB.57.R15037. http://hdl.handle.net/2078.1/45701

Blase, X; De Vita, A; Charlier, Jean-Christophe; Car, R. Frustration effects and microscopic growth mechanisms for BN nanotubes. In: Physical Review Letters, Vol. 80, no. 8, p. 1666-1669 (1998). doi:10.1103/PhysRevLett.80.1666. http://hdl.handle.net/2078.1/45477

Charlier, Jean-Christophe. Morphologies and related electronic properties of carbon nanotubes. In: Journal of Materials Research, Vol. 13, no. 9, p. 2368-2379 (1998). doi:10.1557/JMR.1998.0330. http://hdl.handle.net/2078.1/45111

Ajayan, P.M.; Ravikumar, V; Charlier, Jean-Christophe. Surface reconstructions and dimensional changes in single-walled carbon nanotubes. In: Physical Review Letters, Vol. 81, no. 7, p. 1437-1440 (1998). doi:10.1103/PhysRevLett.81.1437. http://hdl.handle.net/2078.1/45130

1997

Carroll, D.L.; Kinlen, P.; Raman, S.; Redlich, Ph.; Rühle, M.; Blase, X.; Charlier, Jean-Christophe; Curran, S.; Roth, S.; Ajayan, P.M.. Boron-doped nanotubes density of states from tunneling spectroscopy. In: Molecular Nanostructures, p. 477-481 (1997). http://hdl.handle.net/2078.1/145455

Lambin, Ph.; Lucas, A. A.; Charlier, Jean-Christophe. Electronic properties of carbon nanotubes containing defects. In: Journal of Physics and Chemistry of Solids, Vol. 58, no. 11, p. 1833-1837 (1997). doi:10.1016/S0022-3697(97)00095-4. http://hdl.handle.net/2078.1/112877

Carroll, DL; Redlich, P; Ajayan, P.M.; Charlier, Jean-Christophe; Blase, X; DeVita, A; Car, R. Electronic structure and localized states at carbon nanotube tips. In: Physical Review Letters, Vol. 78, no. 14, p. 2811-2814 (1997). doi:10.1103/PhysRevLett.78.2811. http://hdl.handle.net/2078.1/46360

Charlier, Jean-Christophe; DeVita, A; Blase, X; Car, R. Microscopic growth mechanisms for carbon nanotubes. In: Science, Vol. 275, no. 5300, p. 646-649 (1997). doi:10.1126/science.275.5300.647. http://hdl.handle.net/2078.1/46534

Rignanese, Gian-Marco; Pasquarello, A; Charlier, Jean-Christophe; Gonze, Xavier; Car, R. Nitrogen incorporation at Si(001)-SiO2 interfaces: Relation between N 1s core-level shifts and microscopic structure. In: Physical Review Letters, Vol. 79, no. 25, p. 5174-5177 (1997). doi:10.1103/PhysRevLett.79.5174. http://hdl.handle.net/2078.1/45571

Blase, X.; Charlier, Jean-Christophe; De Vita, A.; Car, R.. Theoretical study of composite BxCyNz nanotube heterojunctions. In: Applied Physics Letters, Vol. 70, no. 2, p. 197-199 (1997). http://hdl.handle.net/2078.1/112875

Blase, X; Charlier, Jean-Christophe; DeVita, A; Car, R. Theory of composite BxCyNz nanotube heterojunctions. In: Applied Physics Letters, Vol. 70, no. 2, p. 197-199 (1997). doi:10.1063/1.118354. http://hdl.handle.net/2078.1/46551

1996

Charlier, Jean-Christophe; Issi, Jean-Paul. Electrical conductivity of novel forms of carbon. In: Journal of Physics and Chemistry of Solids, Vol. 57, p. 957-965 (1996). http://hdl.handle.net/2078.1/112867

Charlier, Jean-Christophe; Lambin, Philippe; Ebbesen, TW. Electronic properties of carbon nanotubes with polygonized cross sections. In: Physical Review. B, Condensed Matter, Vol. 54, no. 12, p. R8377-R8380 (1996). doi:10.1103/PhysRevB.54.R8377. http://hdl.handle.net/2078.1/47585

Charlier, Jean-Christophe; Ebbesen, TW; Lambin, Philippe. Structural and electronic properties of pentagon-heptagon pair defects in carbon nanotubes. In: Physical Review. B, Condensed Matter, Vol. 53, no. 16, p. 11108-11113 (1996). doi:10.1103/PhysRevB.53.11108. http://hdl.handle.net/2078.1/47589

1995

Charlier, Jean-Christophe; Gonze, Xavier; Michenaud, Jean-Pierre. First-principles Study of Carbon Nanotube Solid-state Packings. In: Europhysics Letters : a letters journal exploring the frontiers of physics, Vol. 29, no. 1, p. 43-48 (1995). doi:10.1209/0295-5075/29/1/008. http://hdl.handle.net/2078.1/48318

Rignanese, Gian-Marco; Ghosez, P.; Charlier, Jean-Christophe; Michenaud, Jean-Pierre; Gonze, Xavier. Scaling Hypothesis for Corrections To Total-energy and Stress in Plane-wave-based Ab-initio Calculations. In: Physical Review. B, Condensed Matter, Vol. 52, no. 11, p. 8160-8178 (1995). doi:10.1103/PhysRevB.52.8160. http://hdl.handle.net/2078.1/47819

1994

Charlier, Jean-Christophe; Michenaud, Jean-Pierre; Gonze, Xavier. Ab initio structure of graphite monofluoride (CF)n. In: Molecular Crystals and Liquid Crystals, Vol. 245, p. 135-140 (1994). http://hdl.handle.net/2078.1/112851

Lambin, Ph.; Philippe, L.; Charlier, Jean-Christophe; Michenaud, Jean-Pierre. Electronic band structure of multilayered carbon tubules. In: Computational Materials Science, Vol. 2, p. 350-356 (1994). http://hdl.handle.net/2078.1/112860

Lambin, Ph.; Charlier, Jean-Christophe; Michenaud, Jean-Pierre. Electronic structure of coaxial carbon tubules. In: Progress in Fullerene Research, p. 130-134 (1994). http://hdl.handle.net/2078.1/145450

Charlier, Jean-Christophe; Gonze, Xavier; Michenaud, Jean-Pierre. First-principles study of the stacking effect on the electronic properties of graphite(s). In: Carbon, Vol. 32, p. 289-299 (1994). http://hdl.handle.net/2078.1/112854

Charlier, Jean-Christophe; Gonze, Xavier; Michenaud, Jean-Pierre. Graphite Interplanar Bonding – Electronic Delocalization and Van-der-waals Interaction. In: Europhysics Letters : a letters journal exploring the frontiers of physics, Vol. 28, no. 6, p. 403-408 (1994). doi:10.1209/0295-5075/28/6/005. http://hdl.handle.net/2078.1/48588

Charlier, Jean-Christophe; Gonze, Xavier; Michenaud, Jean-Pierre. Graphite interplanar bonding : electronic delocalization and van der Waals interaction. In: Europhysics Letters : a letters journal exploring the frontiers of physics, Vol. 28, p. 403-408 (1994). http://hdl.handle.net/2078.1/112864

Gonze, Xavier; Charlier, Jean-Christophe; Allan, D.C.; Teter, M.P.. Interatomic force constants from first-principles: the case of alpha-quartz. In: Physical Review. B, Condensed Matter, Vol. 50, p. R13035-R13038 (1994). doi:10.1103/PhysRevB.50.13035. http://hdl.handle.net/2078.1/112862

1993

Charlier, Jean-Christophe; Michenaud, Jean-Pierre. Energetics of Multilayered Carbon Tubules. In: Physical Review Letters, Vol. 70, no. 12, p. 1858-1861 (1993). doi:10.1103/PhysRevLett.70.1858. http://hdl.handle.net/2078.1/49828

Charlier, Jean-Christophe; Gonze, Xavier; Michenaud, Jean-Pierre. First-principles study of graphite monofluoride (CF)n. In: Physical Review. B, Condensed Matter, Vol. 47, p. 16162-16168 (1993). http://hdl.handle.net/2078.1/112850

Charlier, Jean-Christophe. Les Fullerènes. In: Chimie Magazine, , no.14, p. 10-13 (1993). http://hdl.handle.net/2078.1/145297

1992

Charlier, Jean-Christophe; Michenaud, Jean-Pierre; Gonze, Xavier. First-principles study of the electronic properties of simple hexagonal graphite. In: Physical Review. B, Condensed Matter, Vol. 46, no. 8, p. 4531-4539 (1992). doi:10.1103/PhysRevB.46.4531. http://hdl.handle.net/2078.1/112848

Charlier, Jean-Christophe; Michenaud, Jean-Pierre; Lambin, Philippe. Tight-binding Density of Electronic States of Pregraphitic Carbon. In: Physical Review. B, Condensed Matter, Vol. 46, no. 8, p. 4540-4543 (1992). doi:10.1103/PhysRevB.46.4540. http://hdl.handle.net/2078.1/50753

1991

Charlier, Jean-Christophe; Gonze, Xavier; Michenaud, Jean-Pierre. First-principles study of the electronic properties of graphite. In: Physical Review. B, Condensed Matter, Vol. 43, no. 6, p. 4579-4589 (1991). doi:10.1103/PhysRevB.43.4579. http://hdl.handle.net/2078.1/112841

Charlier, Jean-Christophe; Michenaud, Jean-Pierre; Gonze, Xavier; Vigneron, Jean-Pol. Tight-binding model for the electronic properties of simple hexagonal graphite. In: Physical review. B, Condensed matter and materials physics, Vol. 44, no. 24, p. 13237-13249 (1991). doi:10.1103/PhysRevB.44.13237. http://hdl.handle.net/2078.1/112843