Publications - Jean-Christophe Charlier's research groupJean-Christophe Charlier's research group

Jean-Christophe Charlier’s google scholar page is here

2024

V. A. Tran, V. Nguyen, and J. C. Charlier, “Klein tunneling degradation and enhanced Fabry-Pérot interference in graphene/h-BN moiré-superlattice devices,” 2D Materials, vol. 11, iss. 2, p. 25023, 2024.
[Bibtex]

@article{tran2024,
title = {{Klein tunneling degradation and enhanced Fabry-P\'{e}rot interference in graphene/h-BN moir\'{e}-superlattice devices}},
author = {Tran, Viet Anh and Nguyen, Viet-Hung and Charlier, Jean Christophe},
abstract = {Hexagonal boron-nitride (h-BN) provides an ideal substrate for supporting graphene devices to achieve fascinating transport properties, such as Klein tunneling, electron optics and other novel quantum transport phenomena. However, depositing graphene on h-BN creates moir� superlattices, whose electronic properties can be significantly manipulated by controlling the lattice alignment between layers. In this work, the effects of these moir� structures on the transport properties of graphene are investigated using atomistic simulations. At large misalignment angles (leading to small moir� cells), the transport properties (most remarkably, Klein tunneling) of pristine graphene devices are conserved. On the other hand, in the nearly aligned cases, the moir� interaction induces stronger effects, significantly affecting electron transport in graphene. In particular, Klein tunneling is significantly degraded. In contrast, strong Fabry-P�rot interference (accordingly, strong quantum confinement) effects and non-linear I-V characteristics are observed. P-N interface smoothness engineering is also considered, suggesting as a potential way to improve these transport features in graphene/h-BN devices.},
Keywords = {CISM:CECI , LUCIA CENAERO , IMCN/MODL , Mechanical Engineering , Mechanics of Materials , Condensed Matter Physics , General Materials Science , General Chemistry},
language = {Anglais},
journal = {{2D Materials}},
volume = {11},
number = {2},
pages = {025023},
issn = {2053-1583},
doi = {10.1088/2053-1583/ad27e8},
publisher = {IOP Publishing},
year = {2024},
url = {http://hdl.handle.net/2078.1/285637}}

S. Dechamps, V. Nguyen, and J. C. Charlier, “Lateral junctions of transition metal dichalcogenides as ballistic channels for straintronic applications,” Nanotechnology, vol. 35, iss. 17, p. 175201, 2024.
[Bibtex]

@article{dechamps2024,
title = {{Lateral junctions of transition metal dichalcogenides as ballistic channels for straintronic applications}},
author = {Dechamps, Samuel and Nguyen, Viet-Hung and Charlier, Jean Christophe},
abstract = {In the context of advanced nanoelectronics, two-dimensional semiconductors such as transition metal dichalcogenides (TMDs) are gaining considerable interest due to their ultimate thinness, clean surface and high carrier mobility. The engineering prospects offered by those materials are further enlarged by the recent realization of atomically sharp TMD-based lateral junctions, whose electronic properties are governed by strain effects arising from the constituents lattice mismatch. Although most theoretical studies considered only mis?t strain, ?rst-principles simulations are employed here to investigate the transport properties under external deformation of a three-terminal device constructed from a MoS2/WSe2/MoS2 junction. Large modulation of the current is reported owing to the change in band offset, illustrating the importance of strain on the p�n junction characteristics. The device operation is demonstrated for both local and global deformations, even for ultra-short channels, suggesting potential applications for ultra-thin body straintronics.},
Keywords = {CISM:CECI , LUCIA CENAERO , IMCN/MODL , Electrical and Electronic Engineering , Mechanical Engineering , Mechanics of Materials , General Materials Science , General Chemistry , Bioengineering},
language = {Anglais},
journal = {{Nanotechnology}},
volume = {35},
number = {17},
pages = {175201},
issn = {1361-6528},
doi = {10.1088/1361-6528/ad1d78},
publisher = {IOP Publishing},
year = {2024},
url = {http://hdl.handle.net/2078.1/285635}}

2023

Z. Zanolli, O. B. Malcioglu, and J. C. Charlier, “Carbynes connected to polycyclic aromatic hydrocarbons as potential carriers of diffuse interstellar bands,” Astronomy & Astrophysics, vol. 675, iss. -, p. L9, 2023.
[Bibtex]

@article{zanolli2023,
title = {{Carbynes connected to polycyclic aromatic hydrocarbons as potential carriers of diffuse interstellar bands}},
author = {Zanolli, Zeila and Malcioglu, Osman Baris and Charlier, Jean Christophe},
Keywords = {IMCN/MODL , CISM:CECI , Space and Planetary Science , Astronomy and Astrophysics},
language = {Anglais},
journal = {{Astronomy & Astrophysics}},
volume = {675},
number = {-},
pages = {L9},
issn = {1432-0746},
doi = {10.1051/0004-6361/202245721},
publisher = {EDP Sciences},
year = {2023},
url = {http://hdl.handle.net/2078.1/279634}}

E. Marazzi, A. Ghojavand, J. Pirard, G. Petretto, J. C. Charlier, and G. Rignanese, “Modeling symmetric and defect-free carbon schwarzites into various zeolite templates,” Carbon, vol. 215, iss. -, p. 118385, 2023.
[Bibtex]

@article{marazzi2023,
title = {{Modeling symmetric and defect-free carbon schwarzites into various zeolite templates}},
author = {Marazzi, Enrico and Ghojavand, Ali and Pirard, J�r�mie and Petretto, Guido and Charlier, Jean Christophe and Rignanese, Gian-Marco},
abstract = {Recently, a process has been proposed for generating negatively-curved carbon schwarzites via zeolite-templating (Braun et al., 2018). However, the proposed process leads to atomistic models which are not very symmetric and often rather defective. In the present work, an improved generation approach is developed, by imposing symmetry constraints, which systematically leads to defect-free, hence more stable, schwarzites. The stability of the newly predicted symmetric schwarzites is also compared to that of other carbon nanostructures (in particular carbon nanotubes � CNTs), which could also be accommodated within the same templates. Our results suggest that only a few of these (such as FAU, SBT and SBS) can fit schwarzites more stable than CNTs. Our predictions could help experimentalists in the crucial choice of the template for the challenging synthesis of schwarzites. Furthermore, being highly symmetric and stable phases, the models could also be synthesized by means of other experimental procedures.},
Keywords = {CISM:CECI , IMCN/MODL , IMCN/NAPS , General Chemistry , General Materials Science},
language = {Anglais},
journal = {{Carbon}},
volume = {215},
number = {-},
pages = {118385},
issn = {0008-6223},
doi = {10.1016/j.carbon.2023.118385},
publisher = {Elsevier BV},
year = {2023},
url = {http://hdl.handle.net/2078.1/278086}}

V. Nguyen and J. C. Charlier, “Recursive Green’s functions optimized for atomistic modelling of large superlattice-based devices,” Journal of Computational Electronics, vol. 22, iss. 5, pp. 1215-1230, 2023.
[Bibtex]

@article{nguyen2023,
title = {{Recursive Green's functions optimized for atomistic modelling of large superlattice-based devices}},
author = {Nguyen, Viet-Hung and Charlier, Jean Christophe},
abstract = {The Green�s function method is recognized to be a very powerful tool for modelling quantum transport in nanoscale electronic devices. As atomistic calculations are generally expensive, numerical methods and related algorithms have been developed accordingly to optimize their computation cost. In particular, recursive techniques have been efficiently applied within the Green�s function calculation approach. Recently, with the discovery of Moir� materials, several attractive superlattices have been explored using these recursive Green�s function techniques. However, numerical difficulty issues were reported as most of these superlattices have relatively large supercells, and consequently a huge number of atoms to be considered. In this article, improvements to solve these issues are proposed in order to keep optimizing the recursive Green�s function calculations. These improvements make the electronic structure calculations feasible and efficient in modelling large superlattice-based devices. As an illustrative example, twisted bilayer graphene superlattices are computed and presented to demonstrate the efficiency of the method.},
Keywords = {CISM:CECI , IMCN/MODL , Electrical and Electronic Engineering , Modeling and Simulation , Atomic and Molecular Physics , and Optics , Electronic , Optical and Magnetic Materials},
language = {Anglais},
journal = {{Journal of Computational Electronics}},
volume = {22},
number = {5},
pages = {1215-1230},
issn = {1572-8137},
doi = {10.1007/s10825-023-02052-6},
publisher = {Springer Science and Business Media LLC},
year = {2023},
url = {http://hdl.handle.net/2078.1/279632}}

A. Canetta, S. Gonzalez-Munoz, V. Nguyen, K. Agarwal, P. de Crombrugghe de Picquendaele, Y. Hong, S. Mohapatra, K. Watanabe, T. Taniguchi, B. Nysten, B. Hackens, R. Ribeiro-Palau, J. C. Charlier, O. V. Kolosov, J. Spièce, and P. Gehring, “Quantifying the local mechanical properties of twisted double bilayer graphene,” Nanoscale, vol. 15, iss. 18, pp. 8134-8140, 2023.
[Bibtex]

@article{canetta2023,
title = {{Quantifying the local mechanical properties of twisted double bilayer graphene}},
author = {Canetta, Alessandra and Gonzalez-Munoz, Sergio and Nguyen, Viet-Hung and Agarwal, Khushboo and de Crombrugghe de Picquendaele, Pauline and Hong, Yuanzhuo and Mohapatra, Sambit and Watanabe, Kenji and Taniguchi, Takashi and Nysten, Bernard and Hackens, Beno�t and Ribeiro-Palau, Rebeca and Charlier, Jean Christophe and Kolosov, Oleg Victor and Spi{\`e}ce, Jean and Gehring, Pascal},
Keywords = {General Materials Science},
language = {Anglais},
journal = {{Nanoscale}},
volume = {15},
number = {18},
pages = {8134-8140},
issn = {2040-3372},
doi = {10.1039/d3nr00388d},
publisher = {{Royal Society of Chemistry (RSC)}},
year = {2023},
url = {http://hdl.handle.net/2078.1/275373}}

2022

L. Caputo, V. Nguyen, and J. C. Charlier, “First-principles study of the structural and electronic properties of BN-ring doped graphene,” Physical Review Materials, vol. 6, iss. 11, p. 114001, 2022.
[Bibtex]

@article{caputo2022,
title = {{First-principles study of the structural and electronic properties of BN-ring doped graphene}},
author = {Caputo, Laura and Nguyen, Viet-Hung and Charlier, Jean Christophe},
abstract = {Since advanced silicon-based device components are moderately chemically tunable, doped graphene has emerged as a promising candidate to replace this semiconducting material in flexible miniaturized electronic devices. Indeed, heteroatom codoping (i.e., with boron and/or nitrogen) is an appealing strategy to tune both its structural and electronic properties, possibly inducing a band gap in graphene. However, presently synthesized BN-doped carbon-based materials are randomly doped, leading their electronic properties not to be reproducible. Using first-principles techniques, the present study investigates the periodic doping of graphene with borazinelike rings in order to search for an entirely new class of BNC hybrid 2D materials exhibiting high stabilities and optimized band gaps for optoelectronic applications. Ab initio calculations show that BN-ring doped graphene displays cohesive energies comparable with benchmark ideal periodic BNC systems (such as BC3 and BC2N) with a decreasing linear trend toward high concentrations of BN rings. Band gaps of BN-ring doped graphene systems are calculated using many-body perturbation techniques and are found to be sensitive to the doping pattern and to be considerably larger for high concentration of BN rings exhibiting the same orientation. These predictions suggest that BN-ring doped graphene materials could be interesting candidates for the next generation of optoelectronic devices and open new opportunities for their synthesis using chemical bottom-up approaches.},
Keywords = {IMCN/MODL , CISM:CECI , Physics and Astronomy (miscellaneous) , General Materials Science},
language = {Anglais},
journal = {{Physical Review Materials}},
volume = {6},
number = {11},
pages = {114001},
issn = {2475-9953},
doi = {10.1103/physrevmaterials.6.114001},
publisher = {{American Physical Society (APS)}},
year = {2022},
url = {http://hdl.handle.net/2078.1/268207}}

V. Zatko, S. M. -M. Dubois, F. Godel, M. Galbiati, J. Peiro, A. Sander, C. Carretero, A. Vecchiola, S. Collin, K. Bouzehouane, B. Servet, F. Petroff, J. C. Charlier, M. Martin, B. Dlubak, and P. Seneor, “Almost Perfect Spin Filtering in Graphene-Based Magnetic Tunnel Junctions,” ACS Nano, vol. 16, iss. 9, pp. 14007-14016, 2022.
[Bibtex]

@article{zatko2022,
author = {Zatko, Victor and Dubois, Simon M.-M. and Godel, Florian and Galbiati, Marta and Peiro, Julian and Sander, Anke and Carretero, C�cile and Vecchiola, Aymeric and Collin, Sophie and Bouzehouane, Karim and Servet, Bernard and Petroff, Fr�d�ric and Charlier, Jean Christophe and Martin, Marie-Blandine and Dlubak, Bruno and Seneor, Pierre},
title = {{Almost Perfect Spin Filtering in Graphene-Based Magnetic Tunnel Junctions}},
journal = {{ACS Nano}},
volume = {16},
number = {9},
pages = {14007-14016},
year = {2022},
doi = {10.1021/acsnano.2c03625},
note ={PMID: 36068013},
URL = {https://doi.org/10.1021/acsnano.2c03625},
eprint = {https://doi.org/10.1021/acsnano.2c03625}}

A. C. Gadelha, V. Nguyen, E. G. S. Neto, F. Santana, M. B. Raschke, M. Lamparski, V. Meunier, J. C. Charlier, and A. Jorio, “Electron-Phonon Coupling in a Magic-Angle Twisted-Bilayer Graphene Device from Gate-Dependent Raman Spectroscopy and Atomistic Modeling,” Nano Letters, vol. 22, iss. 15, pp. 6069-6074, 2022.
[Bibtex]

@article{gadelha2022,
title = {{Electron-Phonon Coupling in a Magic-Angle Twisted-Bilayer Graphene Device from Gate-Dependent Raman Spectroscopy and Atomistic Modeling}},
author = {Gadelha, Andreij C. and Nguyen, Viet-Hung and Neto, Eliel G. S. and Santana, Fabiano and Raschke, Markus B. and Lamparski, Michael and Meunier, Vincent and Charlier, Jean Christophe and Jorio, Ado},
abstract = {The importance of phonons in the strong correlation phenomena observed in twisted-bilayer graphene (TBG) at the so-called magic-angle is under debate. Here we apply gate-dependent micro-Raman spectroscopy to monitor the G band line width in TBG devices of twist angles ! = 0� (Bernal), "1.1� (magic-angle), and "7� (large-angle). The results show a broad and p-/n-asymmetric doping behavior at the magic angle, in clear contrast to the behavior observed in twist angles above and below this point. Atomistic modeling reproduces the experimental observations in close connection with the joint density of electronic states in the electron-phonon scattering process, revealing how the unique electronic structure of magic-angle TBGs influences the electron-phonon coupling and, consequently, the G band line width. Overall, the value of the G band line width in magic-angle TBG is larger when compared to that of the other samples, in qualitative agreement with our calculations.},
Keywords = {IMCN/MODL , Mechanical Engineering , Condensed Matter Physics , General Materials Science , General Chemistry , Bioengineering},
language = {Anglais},
journal = {{Nano Letters}},
volume = {22},
number = {15},
pages = {6069-6074},
issn = {1530-6992},
doi = {10.1021/acs.nanolett.2c00905},
publisher = {American Chemical Society (ACS)},
year = {2022},
url = {http://hdl.handle.net/2078.1/265392}}

V. Nguyen, T. X. Hoang, and J. C. Charlier, “Electronic properties of twisted multilayer graphene,” Journal of Physics: Materials, vol. 5, iss. 3, p. 34003, 2022.
[Bibtex]

@article{nguyen2022,
title = {{Electronic properties of twisted multilayer graphene}},
author = {Nguyen, Viet-Hung and Hoang, Trinh X and Charlier, Jean Christophe},
abstract = {Twisted bilayer graphene displays many fascinating properties that can be tuned by varying the relative angle (also called twist angle) between its layers. As a notable feature, both the electronic flat bands and the corresponding strong electron localization have been obtained at a specific 'magic' angle (${\sim} 1.1^{\circ}$), leading to the observation of several strongly correlated electronic phenomena. Such a discovery has hence inspired the creation of a novel research field called twistronics, i.e. aiming to explore novel physical properties in vertically stacked 2D structures when tuning the twist angle between the related layers. In this paper, a comprehensive and systematic study related to the electronic properties of twisted multilayer graphene (TMG) is presented based on atomistic calculations. The dependence of both the global and the local electronic quantities on the twist angle and on the stacking configuration are analyzed, fully taking into account atomic reconstruction effects. Consequently, the correlation between structural and electronic properties are clarified, thereby highlighting the shared characteristics and differences between various TMG systems as well as providing a comprehensive and essential overview. On the basis of these investigations, possibilities to tune the electronic properties are discussed, allowing for further developments in the field of twistronics.},
Keywords = {IMCN/MODL , Condensed Matter Physics , General Materials Science , Atomic and Molecular Physics , and Optics},
language = {Anglais},
journal = {{Journal of Physics: Materials}},
volume = {5},
number = {3},
pages = {034003},
issn = {2515-7639},
doi = {10.1088/2515-7639/ac6c4a},
publisher = {IOP Publishing},
year = {2022},
url = {http://hdl.handle.net/2078.1/263176}}

D. Romito, E. Fresta, L. M. Cavinato, H. Kählig, H. Amenitsch, L. Caputo, Y. Chen, P. Samorì, J. C. Charlier, R. D. Costa, and D. Bonifazi, “Supramolecular chalcogen-bonded semiconducting nanoribbons at work in lighting devices,” Angewandte chemie international edition, vol. -, iss. -, p. e202202137, 2022.
[Bibtex]

@article{romito2022,
title = {Supramolecular Chalcogen-Bonded Semiconducting Nanoribbons at Work in Lighting Devices},
author = {Romito, Deborah and Fresta, Elisa and Cavinato, Luca M. and K{\"a}hlig, Hanspeter and Amenitsch, Heinz and Caputo, Laura and Chen, Yusheng and Samor{\`i}, Paolo and Charlier, Jean Christophe and Costa, Rub�n D. and Bonifazi, Davide},
abstract = {This work describes the design and synthesis of a p-conjugated telluro[3,2-�][1]-tellurophene-based synthon that, embodying pyridyl and haloaryl chalcogen-bonding acceptors, self-assembles into nanoribbons through chalcogen bonds. The ribbons p-stack in a multi-layered architecture both in single crystals and thin films. Theoretical studies of the electronic states of chalcogen-bonded material showed the presence of a local charge density between Te and N atoms. OTFTbased charge transport measurements showed holetransport properties for this material. Its integration as a p-type semiconductor in multi-layered CuI-based lightemitting electrochemical cells (LECs) led to a 10-fold increase in stability (38 h vs. 3 h) compared to singlelayered devices. Finally, using the reference tellurotellurophene congener bearing a C?? H group instead of the pyridyl N atom, a herringbone solid-state assembly is formed without charge transport features, resulting in LECs with poor stabilities (<1 h).},
Keywords = {IMCN/MODL , General Chemistry , Catalysis},
language = {Anglais},
journal = {Angewandte Chemie International Edition},
volume = {-},
number = {-},
pages = {e202202137},
issn = {1521-3773},
doi = {10.1002/anie.202202137},
publisher = {Wiley},
year = {2022},
url = {http://hdl.handle.net/2078.1/263180}}

M. Endo, Toshiaki Enoki, J. C. Charlier, R. Saito, M. A. Pimenta, A. Jorio, A. S. G. Filho, H. Terrones, J. Kong, and M. Terrones, "Gene F. Dresselhaus (1929-2021) - A Tribute from the Carbon journal," Carbon, vol. 187, iss. -, pp. 488-492, 2022.
[Bibtex]

@article{endo2022,
title = {{Gene F. Dresselhaus (1929-2021) - A Tribute from the Carbon journal}},
author = {Morinobu Endo and Toshiaki Enoki, and Charlier, Jean Christophe and Saito, Riichiro and Marcos A. Pimenta and Ado Jorio and Antonio G. Souza Filho and Humberto Terrones and Jing Kong and Mauricio Terrones},
abstract = {We would like to share with the Carbon community the memory for Professor Gene Frederick Dresselhaus who passed away on September 29th, 2021 at the age of 91.},
Keywords = {IMCN/MODL , General Chemistry , General Materials Science},
language = {Anglais},
journal = {{Carbon}},
volume = {187},
number = {-},
pages = {488-492},
issn = {0008-6223},
doi = {10.1016/j.carbon.2021.11.004},
publisher = {Elsevier BV},
year = {2022},
url = {http://hdl.handle.net/2078.1/257582}}

P. Martin, B. Dlubak, P. Seneor, R. Mattana, M. Martin, P. Lafarge, F. Mallet, M. L. Della Rocca, S. M-M. Dubois, J. C. Charlier, and C. Barraud, "Organic-Inorganic Hybrid Interfaces for Spin Injection into Carbon Nanotubes and Graphene," Advanced Quantum Technologies, vol. -, iss. -, p. 2100166, 2022.
[Bibtex]

@article{martin2022,
title = {{Organic-Inorganic Hybrid Interfaces for Spin Injection into Carbon Nanotubes and Graphene}},
author = {Martin, Pascal and Dlubak, Bruno and Seneor, Pierre and Mattana, Richard and Martin, Marie-Blandine and Lafarge, Philippe and Mallet, Fran�ois and Della Rocca, Maria Luisa and Dubois, Simon M-M and Charlier, Jean Christophe and Barraud, Cl�ment},
abstract = {Spintronics is a quantum technology which aims at adding the spin quantum degree of freedom to conventional CMOS electronics. Since the discovery of the giant magneto-resistance in 1988, considered as the birth of this field, spintronics continues flooding the market with plethora of devices used in everyday life applications such as hard drive read heads or magnetic random-access memories, and so on. From a fundamental research perspective, the field is still blooming bringing post-CMOS perspectives technologically closer to the reality with, for instance, prototypes of all-spin-logic circuits and neuromorphic chips. To sustain this intense research activity, a quest for new platform materials is also taking place not only to enhance existing performances but also to generate novel functionalities. In this vein, carbon nanostructures such as molecules, graphene, and carbon nanotubes are among the most sought-after materials. In this review, spin transport experiments in carbon nanotubes and graphene are first detailed and then, the necessity to consider new hybrid interfaces are highlighted for a better control of the spin injection at the quantum device level.},
Keywords = {IMCN/MODL , CISM:CECI , Electrical and Electronic Engineering , Computational Theory and Mathematics , Condensed Matter Physics , Mathematical Physics , Nuclear and High Energy Physics , Electronic , Optical and Magnetic Materials , Statistical and Nonlinear Physics},
language = {Anglais},
journal = {{Advanced Quantum Technologies}},
volume = {-},
number = {-},
pages = {2100166},
issn = {2511-9044},
doi = {10.1002/qute.202100166},
publisher = {Wiley},
year = {2022},
url = {http://hdl.handle.net/2078.1/259901}}

M. N. Çinar, A. Antidormi, V. Nguyen, A. Kovtun, S. Lara-Avila, A. Liscio, J. C. Charlier, S. Roche, and H. Sevinçli, "Toward Optimized Charge Transport in Multilayer Reduced Graphene Oxides," Nano Letters, vol. 22, iss. 6, pp. 2202-2208, 2022.
[Bibtex]

@article{cinar2022,
author = {\c{C}inar, Mustafa Neset and Antidormi, Aleandro and Nguyen, Viet-Hung and Kovtun, Alessandro and Lara-Avila, Samuel and Liscio, Andrea and Charlier, Jean Christophe and Roche, Stephan and Sevin\c{c}li, H\^{\a}ldun},
title = {{Toward Optimized Charge Transport in Multilayer Reduced Graphene Oxides}},
journal = {{Nano Letters}},
volume = {22},
number = {6},
pages = {2202-2208},
year = {2022},
doi = {10.1021/acs.nanolett.1c03883},
note ={PMID: 35230103},
URL = {https://doi.org/10.1021/acs.nanolett.1c03883},
eprint = {https://doi.org/10.1021/acs.nanolett.1c03883}}

B. Brun-Barrière, V. Nguyen, N. Moreau, S. Somanchi, K. Watanabe, T. Taniguchi, J. C. Charlier, C. Stampfer, and B. Hackens, "Graphene Whisperitronics: Transducing Whispering Gallery Modes into Electronic Transport," Nano Letters, vol. 22, iss. 1, pp. 128-134, 2022.
[Bibtex]

@article{brun2022,
title = {{Graphene Whisperitronics: Transducing Whispering Gallery Modes into Electronic Transport}},
author = {Brun-Barri{\`e}re, Boris and Nguyen, Viet-Hung and Moreau, Nicolas and Somanchi, Sowmya and Watanabe, Kenji and Taniguchi, Takashi and Charlier, Jean Christophe and Stampfer, Christoph and Hackens, Benoit},
abstract = {When confined in circular cavities, graphene relativistic charge carriers occupy whispering gallery modes (WGMs) in analogy to classical acoustic and optical fields. The rich geometrical patterns of the WGMs decorating the local density of states offer promising perspectives to devise new disruptive quantum devices. However, exploiting these highly sensitive resonances requires the transduction of the WGMs to the outside world through source and drain electrodes, a yet unreported configuration. Here, we create a circular p-n island in a graphene device using a polarized scanning gate microscope tip and probe the resulting WGM signatures in in-plane electronic transport through the p-n island. Combining tight-binding simulations and the exact solution of the Dirac equation, we assign the measured device conductance features to WGMs and demonstrate mode selectivity by displacing the p-n island with respect to a constriction. This work therefore constitutes a proof of concept for graphene whisperitronic devices.},
Keywords = {IMCN/MODL , IMCN/NAPS , CISM:CECI , Mechanical Engineering , Condensed Matter Physics , General Materials Science , General Chemistry , Bioengineering},
language = {Anglais},
journal = {{Nano Letters}},
volume = {22},
number = {1},
pages = {128-134},
issn = {1530-6992},
doi = {10.1021/acs.nanolett.1c03451},
publisher = {{American Chemical Society (ACS)}},
year = {2022},
url = {http://hdl.handle.net/2078.1/257457}}

2021

J. Zhou and J. C. Charlier, "Controllable spin current in van der Waals ferromagnet Fe3GeTe2," Physical review research, vol. 3, iss. 4, p. L042033-1, 2021.
[Bibtex]

@article{zhou2021,
title = {{Controllable spin current in van der Waals ferromagnet Fe3GeTe2}},
author = {Zhou, Jiaqi and Charlier, Jean Christophe},
abstract = {The control of spin current is pivotal for spintronic applications, especially for spin-orbit torque devices. The spin Hall effect is a prevalent method to generate spin current. However, it is difficult to manipulate its spin polarization in a nonmagnet. Recently, the discovery of spin current in ferromagnets offers an opportunity to realize the manipulation. In the present Letter, the spin current in the van der Waals ferromagnet Fe3GeTe2 (FGT) with varying magnetization is theoretically investigated. It has been observed that the spin current in FGT presents a nonlinear behavior with respect to magnetization. In-plane and out-of-plane spin polarizations emerge simultaneously, and the bilayer FGT can even exhibit arbitrary polarization owing to the reduced symmetry. More intriguingly, the correlation between the anomalous Hall effect and spin anomalous Hall effect has been interpreted from the aspect of Berry curvature and spin. This work illustrates that the interplay of magnetism and symmetry can effectively control the magnitude and polarization of the spin current, providing a practical method to realize exotic spin-orbit torques.},
Keywords = {IMCN/MODL , CISM:CECI},
language = {Anglais},
journal = {Physical Review Research},
volume = {3},
number = {4},
pages = {L042033-1},
issn = {2643-1564},
doi = {10.1103/physrevresearch.3.l042033},
publisher = {American Physical Society (APS)},
year = {2021}}

Q. Zhu, A. Botello Méndez, L. Cheng, J. Fajardo-Diaz, E. Munoz-Sandoval, F. López-Urias, J. Wang, J. F. Gohy, J. C. Charlier, and A. Vlad, "N-doped carbon nanotube sponges and their excellent lithium storage performances," Nano select, 2021.
[Bibtex]

@article{zhu2021,
title = {N-doped carbon nanotube sponges and their excellent lithium storage performances},
author = {Zhu, Qi and Botello M\'{e}ndez, Andr\'{e}s and Cheng, Luhua and Fajardo-Diaz, Juan and Munoz-Sandoval, Emilio and L\'{o}pez-Urias, Florentino and Wang, Jiande and Gohy, Jean Fran�ois and Charlier, Jean Christophe and Vlad, Alexandru},
abstract = {Preparation, analysis and lithium storage performance of a series of nitrogendoped carbon nanotube sponges (CNX) is presented in this work. The synthesis was performed using an aerosol-assisted chemical vapor deposition (AACVD) in a bi-sprayer system by using various carbon and nitrogen precursors made of mixtures of benzylamine with toluene, urea, pyridine and 1,2-dichlorbenzene, with ferrocene as catalyst. A series of physico-chemical analysis techniques are used to characterize the composition and the morphology of the obtained materials, and a correlation of these with the lithium storage performances is attempted. The samples reveal an interconnected core-shell CNX fiber morphology with a CNT-core surrounded by an amorphous carbon shell. Appealing lithium storage performances are attained, while also considering aspects of safety, low potential, and long-term cycling stability. The best performing sponges display a high specific capacity (223 mAh g-1) when cycled in a practically relevant voltage window (0.01�1V vs. Li), high first cycle (90%) and long-term cycling (99.3%) coulombic efficiencies and excellent capacity retention after 1500 cycles. This study further analyses the interplay between the morphology and the physico-chemistry of nitrogen-doped carbon nanotube materials for Lithium storage and provides guidelines for future developments.},
Keywords = {IMCN/MODL , IMCN/MOST , CNT sponge , ferrocene catalyst , lithium storage , nitrogen doping},
language = {Anglais},
journal = {Nano Select},
issn = {2688-4011},
doi = {10.1002/nano.202100206},
publisher = {Wiley},
year = {2021}}

V. Nguyen, D. Paszko, M. Lamparski, B. Van Troeye, V. Meunier, and J. C. Charlier, "Electronic localization in small-angle twisted bilayer graphene," 2d materials, vol. 8, iss. 3, p. 35046, 2021.
[Bibtex]

@article{nguyen2021,
title = {Electronic localization in small-angle twisted bilayer graphene},
author = {Nguyen, Viet-Hung and Paszko, David and Lamparski, M and Van Troeye, Benoit and Meunier, V and Charlier, Jean Christophe},
Keywords = {IMCN/MODL , CISM:CECI , Mechanical Engineering , General Materials Science , Mechanics of Materials , General Chemistry , Condensed Matter Physics},
language = {Anglais},
journal = {2D Materials},
volume = {8},
number = {3},
pages = {035046},
issn = {2053-1583},
doi = {10.1088/2053-1583/ac044f},
publisher = {IOP Publishing},
year = {2021},
url = {http://hdl.handle.net/2078.1/248324}}

V. Zatko, S. M-M. Dubois, F. Godel, C. Carrétéro, A. Sander, S. Collin, M. Galbiati, J. Peiro, F. Panciera, G. Patriarche, P. Brus, B. Servet, J. C. Charlier, M. Martin, B. Dlubak, and P. Seneor, "Band-Gap Landscape Engineering in Large-Scale 2D Semiconductor van der Waals Heterostructures," ACS Nano, vol. 15, iss. 4, pp. 7279-7289, 2021.
[Bibtex]

@article{zatko2021,
title = {{Band-Gap Landscape Engineering in Large-Scale 2D Semiconductor van der Waals Heterostructures}},
author = {Zatko, Victor and Dubois, Simon M-M and Godel, Florian and Carr\'{e}t\'{e}ro, C�cile and Sander, Anke and Collin, Sophie and Galbiati, Marta and Peiro, Julian and Panciera, Federico and Patriarche, Gilles and Brus, Pierre and Servet, Bernard and Charlier, Jean Christophe and Martin, Marie-Blandine and Dlubak, Bruno and Seneor, Pierre},
Keywords = {IMCN/MODL , CISM:CECI , General Engineering , General Physics and Astronomy , General Materials Science},
language = {Anglais},
journal = {{ACS Nano}},
volume = {15},
number = {4},
pages = {7279-7289},
issn = {1936-086X},
doi = {10.1021/acsnano.1c00544},
publisher = {American Chemical Society (ACS)},
year = {2021},
url = {http://hdl.handle.net/2078.1/245736}}

A. C. Gadelha, D. A. A. Ohlberg, C. Rabelo, E. G. S. Neto, T. L. Vasconcelos, J. L. Campos, J. S. Lemos, V. Ornelas, D. Miranda, R. Nadas, F. C. Santana, K. Watanabe, T. Taniguchi, B. van Troeye, M. Lamparski, V. Meunier, V. Nguyen, D. Paszko, J. C. Charlier, L. C. Campos, L. G. Cançado, G. Medeiros-Ribeiro, and A. Jorio, "Localization of lattice dynamics in low-angle twisted bilayer graphene," Nature, 2021.
[Bibtex]

@article{gadelha2021,
title = {{Localization of lattice dynamics in low-angle twisted bilayer graphene}},
author = {Andreij C. Gadelha and Douglas A. A. Ohlberg and Cassiano Rabelo and Eliel G. S. Neto and Thiago L. Vasconcelos and Jo�o L. Campos and Jessica S. Lemos and Vin�cius Ornelas and Daniel Miranda and Rafael Nadas and Fabiano C. Santana and Kenji Watanabe and Takashi Taniguchi and Benoit van Troeye and Michael Lamparski and Vincent Meunier and Nguyen, Viet-Hung and Paszko, Dawid and Charlier, Jean Christophe and Leonardo C. Campos and Luiz G. Can\c{c}ado and Gilberto Medeiros-Ribeiro and Ado Jorio},
Keywords = {IMCN/MODL},
language = {Anglais},
journal = {{Nature}},
issn = {1476-4687},
year = {2021},
url = {http://hdl.handle.net/2078.1/237667}}

2020

A. Champagne, J. -L. Battaglia, T. Ouisse, F. Ricci, A. Kusiak, C. Pradere, V. Natu, A. Dewandre, M. J. Verstraete, M. W. Barsoum, and J. C. Charlier, "Heat Capacity and Anisotropic Thermal Conductivity in Cr2AlC Single Crystals at High Temperature," The Journal of Physical Chemistry C, vol. 124, iss. 43, pp. 24017-24028, 2020.
[Bibtex]

@article{champagne2020c,
title = {{Heat Capacity and Anisotropic Thermal Conductivity in Cr2AlC Single Crystals at High Temperature}},
author = {Champagne, Aur�lie and Battaglia, J.-L. and Ouisse, T. and Ricci, Francesco and Kusiak, A. and Pradere, C. and Natu, V. and Dewandre, A. and Verstraete, M. J. and Barsoum, M. W. and Charlier, Jean Christophe},
abstract = {The temperature dependences of both heat capacity and thermal conductivity in nanolamellar Cr2AlC single crystals are measured using modulated photothermal radiometry and compared to first-principles calculations. The electronic contribution to the thermal conductivity of Cr2AlC single crystals is computed ab initio by determining the electronic transport coefficients using density functional theory and by solving the Bloch-Boltzmann transport equation with a temperaturedependent relaxation time. The lattice thermal conductivity is predicted by going beyond the quasi-harmonic approximation and considering renormalized second- and third-order force constant matrices, with anharmonic three-phonon scattering, isotopic scattering, and scattering by carbon vacancies. Isotopic scattering does not modify the lattice thermal conductivity. In contrast, even a small concentration of carbon vacancies induces a substantial decrease of the in-plane lattice thermal conductivity. The anisotropy measured in the thermal conductivity, with a ratio of ~2 over the whole temperature range, is confirmed theoretically. This anisotropy seems to mainly arise from lattice contributions. A similar anisotropy is expected for other MAX phases with identical layered structures.},
Keywords = {IMCN/MODL , CISM:CECI , General Energy , Physical and Theoretical Chemistry , Electronic , Optical and Magnetic Materials , Surfaces , Coatings and Films},
language = {Anglais},
journal = {{The Journal of Physical Chemistry C}},
volume = {124},
number = {43},
pages = {24017-24028},
issn = {1932-7455},
doi = {10.1021/acs.jpcc.0c08384},
publisher = {{American Chemical Society (ACS)}},
year = {2020},
url = {http://hdl.handle.net/2078.1/237665}}

M. Piquemal-Banci, R. Galceran, S. M-M. Dubois, V. Zatko, M. Galbiati, F. Godel, M. Martin, R. S. Weatherup, F. Petroff, A. Fert, J. C. Charlier, J. Robertson, S. Hofmann, B. Dlubak, and P. Seneor, "Spin filtering by proximity effects at hybridized interfaces in spin-valves with 2D graphene barriers," Nature Communications, vol. 11, iss. 1, p. -, 2020.
[Bibtex]

@article{piquemal2020,
title = {{Spin filtering by proximity effects at hybridized interfaces in spin-valves with 2D graphene barriers}},
author = {Piquemal-Banci, Ma�lis and Galceran, Regina and Dubois, Simon M-M and Zatko, Victor and Galbiati, Marta and Godel, Florian and Martin, Marie-Blandine and Weatherup, Robert S. and Petroff, Fr�d�ric and Fert, Albert and Charlier, Jean Christophe and Robertson, John and Hofmann, Stephan and Dlubak, Bruno and Seneor, Pierre},
abstract = {We report on spin transport in state-of-the-art epitaxial monolayer graphene based 2Dmagnetic tunnel junctions (2D-MTJs). In our measurements, supported by ab-initio calculations, the strength of interaction between ferromagnetic electrodes and graphene monolayers is shown to fundamentally control the resulting spin signal. In particular, by switching the graphene/ferromagnet interaction, spin transport reveals magneto-resistance signal MR > 80% in junctions with low resistance � area products. Descriptions based only on a simple K-point filtering picture (i.e. MR increase with the number of layers) are not sufficient to predict the behavior of our devices. We emphasize that hybridization effects need to be taken into account to fully grasp the spin properties (such as spin dependent density of states) when 2D materials are used as ultimately thin interfaces. While this is only a first demonstration, we thus introduce the fruitful potential of spin manipulation by proximity effect at the hybridized 2D material / ferromagnet interface for 2D-MTJs.},
Keywords = {IMCN/MODL , CISM:CECI , General Biochemistry , Genetics and Molecular Biology , General Physics and Astronomy , General Chemistry},
language = {Anglais},
journal = {{Nature Communications}},
volume = {11},
number = {1},
pages = {-},
issn = {2041-1723},
doi = {10.1038/s41467-020-19420-6},
publisher = {{Springer Science and Business Media LLC}},
year = {2020},
url = {http://hdl.handle.net/2078.1/237662}}

H. O. Badr, A. Champagne, T. Ouisse, J. C. Charlier, and M. W. Barsoum, "Elastic properties and hardness values of V2AlC and Cr2AlC single crystals," Physical Review Materials, vol. 4, iss. 8, p. 83605, 2020.
[Bibtex]

@article{badr2020,
title = {{Elastic properties and hardness values of V2AlC and Cr2AlC single crystals}},
author = {Badr, Hussein O. and Champagne, Aur�lie and Ouisse, Thierry and Charlier, Jean Christophe and Barsoum, Michel W.},
abstract = {Herein we report on a subset of the elastic constants, ci j , and hardness values of V2AlC and Cr2AlC single crystals by means of microindentation/nanoindentation techniques. Density functional theory (DFT) is also used to calculate the elastic constants. The c33 and c11 values determined using a Berkovich tip and those calculated by DFT are all found to fall in the relatively narrow range of 320�350 GPa. These results confirm once again that many of MAX phases are relatively elastically isotropic, especially when compared to many other known layered solids such as graphite and mica. Similarly, the hardness values, obtained using Vickers, Berkovich, and a 5 �m spherical tip on the two orthogonal Cr2AlC surfaces, are quite comparable and average 9.0 � 1 GPa. In all cases, the hardness values are at most 20% higher when the basal planes are loaded along [0001] than when they are loaded edge-on. The Cr2AlC surfaces record an average microyielding stress of 2.7 � 0.3 GPa, while the less defective V2AlC crystals linearly sustain stresses of the order of 20 GPa, after which, in approximately 60% of the cases, pop-ins, some of which are substantial, are recorded. Postindentation scanning electron microscope micrographs clearly evidence the plastic anisotropy of these crystals. Large pileups near the indent edges and delamination cracks after loading along the [0001] and [10�10] directions, respectively, are consistent with deformation by ripplocations and ripplocation boundaries, as are the fully and spontaneously recoverable hysteresis stress-strain loops.},
Keywords = {IMCN/MODL , CISM:CECI},
language = {Anglais},
journal = {{Physical Review Materials}},
volume = {4},
number = {8},
pages = {083605},
issn = {2475-9953},
doi = {10.1103/physrevmaterials.4.083605},
publisher = {{American Physical Society (APS)}},
year = {2020},
url = {http://hdl.handle.net/2078.1/236395}}

S. M. Gali, A. Pershin, A. Lherbier, J. C. Charlier, and D. Beljonne, "Electronic and Transport Properties in Defective MoS2: Impact of Sulfur Vacancies," The Journal of Physical Chemistry C, vol. 124, iss. 28, pp. 15076-15084, 2020.
[Bibtex]

@article{gali2020,
title = {{Electronic and Transport Properties in Defective MoS2: Impact of Sulfur Vacancies}},
author = {Gali, Sai Manoj and Pershin, Anton and Lherbier, Aur�lien and Charlier, Jean Christophe and Beljonne, David},
abstract = {Crystal impurities, such as atomic vacancies, are known to modulate the charge transport characteristics of two-dimensional (2D) materials. Here, we apply a first-principles-enriched tight-binding modelling approach to assess the influence of sulfur vacancies on the electronic structure and quantum transport characteristics of MoS2 monolayers. To this end, an sp3d5 orthogonal tight-binding (oTB) model of the pristine and defective MoS2 monolayer is mapped with electronic structure calculations performed at the density functional theory level and subsequently used in the real-space Kubo-Greenwood (KG) scheme for charge transport simulations. The calculated charge carrier mobility is found to be sensitive to both the density and spatial arrangement of vacancies. Our oTB/KG simulations predict a drop of mobility by two orders of magnitude when the vacancy concentration is increased from 0.1 to 3%, in excellent agreement with experimental results. The simulation of realistic samples (including specific types of defects) pave a new route toward the accurate understanding and the possible prediction of 2D materials for nanoelectronic devices.},
Keywords = {IMCN/MODL , CISM:CECI , General Energy , Physical and Theoretical Chemistry , Electronic , Optical and Magnetic Materials , Surfaces , Coatings and Films},
language = {Anglais},
journal = {{The Journal of Physical Chemistry C}},
volume = {124},
number = {28},
pages = {15076-15084},
issn = {1932-7455},
doi = {10.1021/acs.jpcc.0c04203},
publisher = {{American Chemical Society (ACS)}},
year = {2020},
url = {http://hdl.handle.net/2078.1/236397}}

B. Brun-Barrière, N. Moreau, S. Somanchi, V. H. Nguyen, A. Mreńca-Kolasińska, K. Watanabe, T. Taniguchi, J. C. Charlier, C. Stampfer, and B. Hackens, "Optimizing Dirac fermions quasi-confinement by potential smoothness engineering," 2D Materials, vol. 7, iss. 2, p. 25037, 2020.
[Bibtex]

@article{brun2020,
title = {{Optimizing Dirac fermions quasi-confinement by potential smoothness engineering}},
author = {Brun-Barri{\`e}re, Boris and Moreau, Nicolas and Somanchi, S and Nguyen, V. H. and Mre{\'n}ca-Kolasi{\'n}ska, A and Watanabe, K and Taniguchi, T and Charlier, Jean Christophe and Stampfer, C and Hackens, Beno\^{\i}t},
abstract = {With the advent of high mobility encapsulated graphene devices, new electronic components ruled by Dirac fermions optics have been envisioned and realized. The main building blocks of electronoptics devices are gate-defined p�n junctions, which guide, transmit and refract graphene charge carriers, just like prisms and lenses in optics. The reflection and transmission are governed by the p�n junction smoothness, a parameter difficult to tune in conventional devices. Here we create p�n junctions in graphene, using the polarized tip of a scanning gate microscope, yielding Fabry�P�rot interference fringes in the device resistance. We control the p�n junctions smoothness using the tipto-graphene distance, and show increased interference contrast using smoother potential barriers. Extensive tight-binding simulations reveal that smooth potential barriers induce a pronounced quasi-confinement of Dirac fermions below the tip, yielding enhanced interference contrast. On the opposite, sharp barriers are excellent Dirac fermions transmitters and lead to poorly contrasted interferences. Our work emphasizes the importance of junction smoothness for relativistic electron optics devices engineering.},
Keywords = {IMCN/NAPS , IMCN/MODL , Mechanical Engineering , General Materials Science , Mechanics of Materials , General Chemistry , Condensed Matter Physics},
language = {Anglais},
journal = {{2D Materials}},
volume = {7},
number = {2},
pages = {025037},
issn = {2053-1583},
doi = {10.1088/2053-1583/ab734e},
publisher = {{IOP Publishing}},
year = {2020},
url = {http://hdl.handle.net/2078.1/231300}}

A. Champagne and J. C. Charlier, "Physical properties of 2D MXenes: from a theoretical perspective," Journal of Physics: Materials, vol. 3, iss. 3, p. 32006, 2020.
[Bibtex]

@article{champagne2020b,
title = {{Physical properties of 2D MXenes: from a theoretical perspective}},
author = {Champagne, Aur�lie and Charlier, Jean Christophe},
abstract = {The family of 2D materials has expanded quite rapidly, especially with the addition of transition metal carbides and nitrides called MXenes, in the last decade. Since their discovery in 2011, about 30 different MXenes have been synthesized, and the structure and properties of several dozens have been predicted by first-principles approaches. Given the outstanding advances in the MXene field, it is thus appropriate to review the most relevant properties of these MXenes and point out their potential applications. In this article, the structural, transport, magnetic, vibrational, mechanical, and electrochemical properties of MXenes are overviewed. The goal is to illustrate how the chemical versatility in the intrinsic composition and surface terminations combined with the potential addition of a fourth element enable to tune MXenes properties to meet the targeted applications.},
Keywords = {CISM:CECI , IMCN/MODL},
language = {Anglais},
journal = {{Journal of Physics: Materials}},
volume = {3},
number = {3},
pages = {032006},
issn = {2515-7639},
doi = {10.1088/2515-7639/ab97ee},
publisher = {{IOP Publishing}},
year = {2020},
url = {http://hdl.handle.net/2078.1/236394}}

R. Bonnet, P. Martin, S. Suffit, P. Lafarge, A. Lherbier, J. C. Charlier, M. L. Della Rocca, and C. Barraud, "Giant spin signals in chemically functionalized multiwall carbon nanotubes," Science advances, vol. 6, iss. 31, 2020.
[Bibtex]

@article {bonnet2020,
author = {Bonnet, Rom{\'e}o and Martin, Pascal and Suffit, St{\'e}phan and Lafarge, Philippe and Lherbier, Aur{\'e}lien and Charlier, Jean Christophe and Della Rocca, Maria Luisa and Barraud, Cl{\'e}ment},
title = {Giant spin signals in chemically functionalized multiwall carbon nanotubes},
volume = {6},
number = {31},
elocation-id = {eaba5494},
year = {2020},
doi = {10.1126/sciadv.aba5494},
publisher = {{American Association for the Advancement of Science}},
abstract = {Transporting quantum information such as the spin information over micrometric or even millimetric distances is a strong requirement for the next-generation electronic circuits such as low-voltage spin-logic devices. This crucial step of transportation remains delicate in nontopologically protected systems because of the volatile nature of spin states. Here, a beneficial combination of different phenomena is used to approach this sought-after milestone for the beyond{\textendash}Complementary Metal Oxide Semiconductor (CMOS) technology roadmap. First, a strongly spin-polarized charge current is injected using highly spin-polarized hybridized states emerging at the complex ferromagnetic metal/molecule interfaces. Second, the spin information is brought toward the conducting inner shells of a multiwall carbon nanotube used as a confined nanoguide benefiting from both weak spin-orbit and hyperfine interactions. The spin information is finally electrically converted because of a strong magnetoresistive effect. The experimental results are also supported by calculations qualitatively revealing exceptional spin transport properties of this system.},
URL = {https://advances.sciencemag.org/content/6/31/eaba5494},
eprint = {https://advances.sciencemag.org/content/6/31/eaba5494.full.pdf},
journal = {Science Advances}
}

A. Champagne, S. Dechamps, S. M-M. Dubois, A. Lherbier, V. Nguyen, and J. C. Charlier, "Computational Atomistic Modeling in Carbon Flatland and Other 2D Nanomaterials," Applied Sciences, vol. 10, iss. 5, p. 1724, 2020.
[Bibtex]

@article{champagne2020a,
title = {Computational {A}tomistic {M}odeling in {C}arbon {F}latland and {O}ther 2{D} {N}anomaterials},
author = {Champagne, Aur�lie and Dechamps, Samuel and Dubois, Simon M-M and Lherbier, Aur�lien and Nguyen, Viet-Hung and Charlier, Jean Christophe},
abstract = {As in many countries, the rise of nanosciences in Belgium has been triggered in the 1980s in the one hand, by the development of scanning tunneling and atomic force microscopes offering an unprecedented possibility to visualize and manipulate the atoms, and in the other hand, by the synthesis of nano-objects in particular carbon nanostructures such as fullerene and nanotubes. Concomitantly, the increasing calculating power and the emergence of computing facilities together with the development of DFT-based ab initio software have brought to nanosciences field powerful simulation tools to analyse and predict properties of nano-objects. Starting with 0D and 1D nanostructures, the floor is now occupied by the 2{D} {M}aterials with graphene being the bow of this 2D ship. In this review article, some specific examples of 2D systems has been chosen to illustrate how not only density functional theory (DFT) but also tight-binding (TB) techniques can be daily used to investigate theoretically the electronic, phononic, magnetic, and transport properties of these atomically thin layered materials.},
Keywords = {CISM:CECI , IMCN/MODL},
language = {Anglais},
journal = {Applied {S}ciences},
volume = {10},
number = {5},
pages = {1724},
issn = {2076-3417},
doi = {10.3390/app10051724},
publisher = {MDPI AG},
year = {2020},
url = {http://hdl.handle.net/2078.1/229852}}

A. Champagne, F. Ricci, M. Barbier, T. Ouisse, D. Magnin, S. Ryelandt, T. Pardoen, G. Hautier, M. W. Barsoum, and J. C. Charlier, "Insights into the elastic properties of RE-i-MAX phases and their potential exfoliation into two-dimensional RE-i-MXenes," Physical Review Materials, vol. 4, iss. 1, p. 13604, 2020.
[Bibtex]

@article{champagne2020,
title = {Insights into the elastic properties of {RE-i-MAX} phases and their potential exfoliation into two-dimensional {RE-i-MXenes}},
author = {Champagne, Aur�lie and Ricci, Francesco and Barbier, M. and Ouisse, T. and Magnin, Delphine and Ryelandt, Sophie and Pardoen, Thomas and Hautier, Geoffroy and Barsoum, M. W. and Charlier, Jean Christophe},
abstract = {The recent discovery of quaternary MAX phases with chemical in-plane order allowed the addition of nontraditional MAX phase elements, such as rare-earth elements. In the present study, first-principles calculations are performed to investigate the electronic structure, elastic and hardness response, and bonding strengths of the novel RE-i-MAX phases with the formula (Mo2/3RE1/3 )2AlC. The Voigt-Reuss-Hill bulk, shear, and Young�s moduli are compared along the series of RE = Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, and Lu, and the global trend is found to depend on the unit cell volume. Nanoindentation experiments on Ho-based single crystals result in moduli that are within 10% of predicted values and a hardness of ~10 GPa. The computation of the projected density of states, projected crystal orbital Hamilton population, and integrated projected crystal orbital Hamilton population, reveals that the bonding of Mo and RE atoms with the Al atoms are weaker than those with the C atoms, suggesting the exfoliation of RE-i-MAX into two-dimensional RE-i-MXenes to be feasible. Such a possibility to form two-dimensional crystals is further confirmed by the computation of the exfoliation energies, which demonstrates the process to be easier as the RE atomic mass decreases.},
language = {Anglais},
journal = {Physical {R}eview {M}aterials},
volume = {4},
number = {1},
pages = {013604},
issn = {2475-9953},
doi = {10.1103/physrevmaterials.4.013604},
publisher = {American Physical Society (APS)},
year = {2020},
url = {http://hdl.handle.net/2078.1/226529}}

R. Banerjee, V. Nguyen, T. Granzier-Nakajima, L. Pabbi, A. Lherbier, A. R. Binion, J. C. Charlier, M. Terrones, and E. W. Hudson, "Strain Modulated Superlattices in Graphene," Nano Letters, vol. 20, iss. 5, pp. 3113-3121, 2020.
[Bibtex]

@article{banerjee2020,
title = {Strain {M}odulated {S}uperlattices in {G}raphene},
author = {Banerjee, Riju and Nguyen, Viet-Hung and Granzier-Nakajima, Tomotaroh and Pabbi, Lavish and Lherbier, Aur�lien and Binion, Anna Ruth and Charlier, Jean Christophe and Terrones, Mauricio and Hudson, Eric William},
abstract = {Numerous theoretically proposed devices and novel phenomena have sought to take advantage of the intense pseudogauge fields that can arise in strained graphene. Many of these proposals, however, require fields to oscillate with a spatial frequency smaller than the magnetic length, while to date only the generation and effects of fields varying at a much larger length scale have been reported. Here, we describe the creation of short wavelength, periodic pseudogauge-fields using rippled graphene under extreme (>10%) strain and study of its effects on Dirac electrons. Combining scanning tunneling microscopy and atomistic calculations, we find that spatially oscillating strain generates a new quantization different from the familiar Landau quantization. Graphene ripples also cause large variations in carbon-carbon bond length, creating an effective electronic superlattice within a single graphene sheet. Our results thus also establish a novel approach of synthesizing effective 2D lateral heterostructures by periodically modulating lattice strain.},
Keywords = {IMCN/MODL , CISM:CECI , Mechanical Engineering , General Materials Science , Bioengineering , General Chemistry , Condensed Matter Physics},
language = {Anglais},
journal = {Nano {L}etters},
volume = {20},
number = {5},
pages = {3113-3121},
issn = {1530-6992},
doi = {10.1021/acs.nanolett.9b05108},
publisher = {American Chemical Society (ACS)},
year = {2020},
url = {http://hdl.handle.net/2078.1/229878}}

H. V. Nguyen and J. C. Charlier, "Aharonov–Bohm interferences in polycrystalline graphene," Nanoscale Adv., vol. 2, pp. 256-263, 2020.
[Bibtex]

@Article{nguyen2020,
author ="Nguyen, V. Hung and Charlier, Jean Christophe",
title ="Aharonov–{B}ohm interferences in polycrystalline graphene",
journal ="Nanoscale {A}dv.",
year ="2020",
volume ="2",
issue ="1",
pages ="256-263",
publisher ="RSC",
doi ="10.1039/C9NA00542K",
url ="http://dx.doi.org/10.1039/C9NA00542K",
abstract ="Aharonov–Bohm (AB) interferences in the quantum Hall regime can be achieved{,} provided that electrons are able to transmit between two edge channels in nanostructures. Pioneering approaches include quantum point contacts in 2DEG systems{,} bipolar graphene p–n junctions{,} and magnetic field heterostructures. In this work{,} defect scattering is proposed as an alternative mechanism to achieve AB interferences in polycrystalline graphene. Indeed{,} due to such scattering{,} the extended defects across the sample can act as tunneling paths connecting quantum Hall edge channels. Consequently{,} strong AB oscillations in the conductance are predicted in polycrystalline graphene systems with two parallel grain boundaries. In addition{,} this general approach is demonstrated to be applicable to nano-systems containing two graphene barriers with functional impurities and perspectively{,} can also be extended to similar systems of 2{D} {M}aterials beyond graphene."}

2019

V. Zatko, M. Galbiati, S. M-M. Dubois, M. Och, P. Palczynski, C. Mattevi, P. Brus, O. Bezencenet, M. Martin, B. Servet, J. C. Charlier, F. Godel, A. Vecchiola, K. Bouzehouane, S. Collin, F. Petroff, B. Dlubak, and P. Seneor, "Band-Structure Spin-Filtering in Vertical Spin Valves Based on Chemical Vapor Deposited WS2," ACS Nano, vol. 13, iss. 12, pp. 14468-14476, 2019.
[Bibtex]

@article{zatko2019,
title = {Band-{S}tructure {S}pin-{F}iltering in {V}ertical {S}pin {V}alves {B}ased on {C}hemical {V}apor {D}eposited {WS}2},
author = {Zatko, Victor and Galbiati, Marta and Dubois, Simon M-M and Och, Mauro and Palczynski, Pawel and Mattevi, Cecilia and Brus, Pierre and Bezencenet, Odile and Martin, Marie-Blandine and Servet, Bernard and Charlier, Jean Christophe and Godel, Florian and Vecchiola, Aymeric and Bouzehouane, Karim and Collin, Sophie and Petroff, Frédéric and Dlubak, Bruno and Seneor, Pierre},
Keywords = {CISM:CECI , IMCN/MODL , General Engineering , General Physics and Astronomy , General Materials Science},
language = {Anglais},
journal = {A{CS} {N}ano},
volume = {13},
number = {12},
pages = {14468-14476},
issn = {1936-086X},
doi = {10.1021/acsnano.9b08178},
publisher = {American {C}hemical {S}ociety {(ACS)}},
year = {2019},
url = {http://hdl.handle.net/2078.1/225938}}

D. C. Camacho-Mojica, B. Cunning, S. Chatterjee, S. Jin, F. Ding, J. C. Charlier, and R. S. Ruoff, "Charge Transfer during the Dissociation of H2 and the Charge State of H Atoms in Liquid Gallium," The Journal of Physical Chemistry C, vol. 123, iss. 44, pp. 26769-26776, 2019.
[Bibtex]

@article{camacho2019,
title = {Charge {T}ransfer during the {D}issociation of {H2} and the {C}harge {S}tate of {H} {A}toms in {L}iquid {G}allium},
author = {Camacho-Mojica, Dulce C. and Cunning, Benjamin and Chatterjee, Shahana and Jin, Sunghwan and Ding, Feng and Charlier, Jean Christophe and Ruoff, Rodney S.},
Keywords = {IMCN/MODL , General Energy , Physical and Theoretical Chemistry , Electronic , Optical and Magnetic Materials , Surfaces , Coatings and Films},
language = {Anglais},
journal = {The {J}ournal of {P}hysical {C}hemistry {C}},
volume = {123},
number = {44},
pages = {26769-26776},
issn = {1932-7455},
doi = {10.1021/acs.jpcc.9b06779},
publisher = {American {C}hemical {S}ociety {(ACS)}},
year = {2019},
url = {http://hdl.handle.net/2078.1/225928}}

B. Brun-Barrière, N. MOREAU, S. Somanchi, V. Nguyen, K. Watanabe, T. Taniguchi, J. C. Charlier, C. Stampfer, and B. Hackens, "Imaging Dirac fermions flow through a circular Veselago lens," Physical Review B, vol. 100, iss. 4, p. 414011, 2019.
[Bibtex]

@article{brun2019,
title = {Imaging {D}irac fermions flow through a circular {V}eselago lens},
author = {Brun-Barrière, Boris and MOREAU, Nicolas and Somanchi, S. and Nguyen, Viet-Hung and Watanabe, K. and Taniguchi, T. and Charlier, Jean Christophe and Stampfer, C. and Hackens, Benoît},
Keywords = {IMCN/MODL},
language = {Anglais},
journal = {Physical {R}eview {B}},
volume = {100},
number = {4},
pages = {0414011},
issn = {2469-9969},
doi = {10.1103/physrevb.100.041401},
publisher = {American Physical Society (APS)},
year = {2019},
url = {http://hdl.handle.net/2078.1/219458}}

M. Galbiati, S. Tatay, S. M. -M. Dubois, F. Godel, R. Galceran, S. Mañas-Valero, M. Piquemal-Banci, A. Vecchiola, J. C. Charlier, A. Forment-Aliaga, E. Coronado, B. Dlubak, and P. Seneor, "Path to Overcome Material and Fundamental Obstacles in Spin Valves Based on MoS2 and Other Transition-Metal Dichalcogenides," Phys. Rev. Applied, vol. 12, p. 44022, 2019.
[Bibtex]

@article{galbiati2019,
title = {Path to {O}vercome {M}aterial and {F}undamental {O}bstacles in {S}pin {V}alves {B}ased on {Mo}{S}{2} and {O}ther {T}ransition-{M}etal {D}ichalcogenides},
author = {Galbiati, Marta and Tatay, Sergio and Dubois, Simon M.-M. and Godel, Florian and Galceran, Regina and Ma\~nas-Valero, Samuel and Piquemal-Banci, Ma\"elis and Vecchiola, Aymeric and Charlier, Jean Christophe and Forment-Aliaga, Alicia and Coronado, Eugenio and Dlubak, Bruno and Seneor, Pierre},
journal = {Phys. {R}ev. {A}pplied},
volume = {12},
issue = {4},
pages = {044022},
numpages = {7},
year = {2019},
month = {Oct},
publisher = {American Physical Society},
doi = {10.1103/PhysRevApplied.12.044022},
url = {https://link.aps.org/doi/10.1103/PhysRevApplied.12.044022}
}

A. W. Cummings, S. M. -M. Dubois, J. C. Charlier, and S. Roche, "Universal Spin Diffusion Length in Polycrystalline Graphene," Nano Letters, vol. 19, iss. 10, pp. 7418-7426, 2019.
[Bibtex]

@article{cummings2019,
author = {Cummings, Aron W. and Dubois, Simon M.-M. and Charlier, Jean Christophe and Roche, Stephan},
title = {Universal {S}pin {D}iffusion {L}ength in {P}olycrystalline {G}raphene},
journal = {Nano {L}etters},
volume = {19},
number = {10},
pages = {7418-7426},
year = {2019},
doi = {10.1021/acs.nanolett.9b03112},
note ={PMID: 31532994},
URL = {https://doi.org/10.1021/acs.nanolett.9b03112},
eprint = {https://doi.org/10.1021/acs.nanolett.9b03112}
}

H. V. Nguyen and J. C. Charlier, "Stepped graphene-based Aharonov-Bohminterferometers," 2D Materials, vol. 6, iss. 4, p. 45045, 2019.
[Bibtex]

@article{nguyen2019,
doi = {10.1088/2053-1583/ab3500},
url = {https://doi.org/10.1088%2F2053-1583%2Fab3500},
year = 2019,
month = {sep},
publisher = {{IOP} Publishing},
volume = {6},
number = {4},
pages = {045045},
author = {V Hung Nguyen and Jean Christophe Charlier},
title = {Stepped graphene-based {Aharonov-Bohm}interferometers},
journal = {2{D} {M}aterials},
abstract = {Aharonov–Bohm interferences in the quantum Hall regime are observed when electrons are transmitted between two edge channels. Such a phenomenon has been realized in 2D systems such as quantum point contacts, anti-dots and p-n junctions. Based on a theoretical investigation of the magnetotransport in stepped graphene, a new kind of Aharonov–Bohm interferometers is proposed herewith. Indeed, when a strong magnetic field is applied in a proper direction, oppositely propagating edge states can be achieved in both terrace and facet zones of the step, leading to the interedge scatterings and hence strong Aharonov–Bohm oscillations in the conductance in the quantum Hall regime. Taking place in the unipolar regime, this interference is also predicted in stepped systems of other 2D layered materials.}
}

C. Tonnelé, A. Pershin, S. M. Gali, A. Lherbier, J. C. Charlier, F. Castet, L. Muccioli, and D. Beljonne, "Atomistic simulations of charge transport in photoswitchable organic-graphene hybrids," Journal of Physics: Materials, vol. 2, iss. 3, p. 35001, 2019.
[Bibtex]

@article{tonnele2019,
doi = {10.1088/2515-7639/ab1314},
url = {https://doi.org/10.1088%2F2515-7639%2Fab1314},
year = 2019,
month = {apr},
publisher = {{IOP} Publishing},
volume = {2},
number = {3},
pages = {035001},
author = {Claire Tonnel{\'{e}} and Anton Pershin and Sai Manoj Gali and Aur{\'{e}}lien Lherbier and Jean Christophe Charlier and Fr{\'{e}}d{\'{e}}ric Castet and Luca Muccioli and David Beljonne},
title = {Atomistic simulations of charge transport in photoswitchable organic-graphene hybrids},
journal = {Journal of {P}hysics: {M}aterials},
}

A. Champagne, O. Chaix-Pluchery, T. Ouisse, D. Pinek, I. Gélard, L. Jouffret, M. Barbier, F. Wilhelm, Q. Tao, J. Lu, J. Rosen, M. W. Barsoum, and J. C. Charlier, "First-order Raman scattering of rare-earth containing i-MAX single crystals (Mo2/3 RE1/3)2 AlC (RE=Nd, Gd, Dy, Ho, Er)," Phys. Rev. Materials, vol. 3, p. 53609, 2019.
[Bibtex]

@article{champagne2019,
title = {First-order {Raman} scattering of rare-earth containing i-{MAX} single crystals ({M}o2/3 {RE}1/3)2 {AlC} ({RE}={Nd}, {Gd}, {Dy}, {Ho}, {Er})},
author = {Champagne, A. and Chaix-Pluchery, O. and Ouisse, T. and Pinek, D. and G\'elard, I. and Jouffret, L. and Barbier, M. and Wilhelm, F. and Tao, Q. and Lu, J. and Rosen, J. and Barsoum, M. W. and Charlier, Jean Christophe},
journal = {Phys. {R}ev. {M}aterials},
volume = {3},
issue = {5},
pages = {053609},
numpages = {11},
year = {2019},
month = {May},
publisher = {American Physical Society},
doi = {10.1103/PhysRevMaterials.3.053609},
url = {https://link.aps.org/doi/10.1103/PhysRevMaterials.3.053609}
}

2018

L. Salemi, A. Lherbier, and J. C. Charlier, "Spin-dependent properties in zigzag graphene nanoribbons with phenyl-edge defects," Phys. Rev. B, vol. 98, p. 214204, 2018.
[Bibtex]

@article{salemi2018,
title = {Spin-dependent properties in zigzag graphene nanoribbons with phenyl-edge defects},
author = {Salemi, Leandro and Lherbier, Aur\'elien and Charlier, Jean Christophe},
journal = {Phys. {R}ev. {B}},
volume = {98},
issue = {21},
pages = {214204},
numpages = {6},
year = {2018},
month = {Dec},
publisher = {American Physical Society},
doi = {10.1103/PhysRevB.98.214204},
url = {https://link.aps.org/doi/10.1103/PhysRevB.98.214204}
}

Q. Tao, T. Ouisse, D. Pinek, O. Chaix-Pluchery, F. Wilhelm, A. Rogalev, C. Opagiste, L. Jouffret, A. Champagne, J. C. Charlier, J. Lu, L. Hultman, M. W. Barsoum, and J. Rosen, "Rare-earth (RE) nanolaminates Mo4 RE4 Al7 C3 featuring ferromagnetism and mixed-valence states," Phys. Rev. Materials, vol. 2, p. 114401, 2018.
[Bibtex]

@article{tao2018,
title = {Rare-earth {(RE)} nanolaminates {Mo}{4} {RE}{4} {Al}{7} {C}{3} featuring ferromagnetism and mixed-valence states},
author = {Tao, Q. and Ouisse, T. and Pinek, D. and Chaix-Pluchery, O. and Wilhelm, F. and Rogalev, A. and Opagiste, C. and Jouffret, L. and Champagne, A. and Charlier, Jean Christophe and Lu, J. and Hultman, L. and Barsoum, M. W. and Rosen, J.},
journal = {Phys. {R}ev. {M}aterials},
volume = {2},
issue = {11},
pages = {114401},
numpages = {12},
year = {2018},
month = {Nov},
publisher = {American Physical Society},
doi = {10.1103/PhysRevMaterials.2.114401},
url = {https://link.aps.org/doi/10.1103/PhysRevMaterials.2.114401}
}

A. Lherbier, G. Vander Marcken, B. Van Troeye, A. R. Botello-Méndez, J. -J. Adjizian, G. Hautier, X. Gonze, G. -M. Rignanese, and J. C. Charlier, "Lithiation properties of sp2 carbon allotropes," Phys. Rev. Materials, vol. 2, p. 85408, 2018.
[Bibtex]

@article{lherbier2018,
title = {Lithiation properties of sp2 carbon allotropes},
author = {Lherbier, Aur\'elien and Vander Marcken, Gil and Van Troeye, Beno\^{\i}t and Botello-M\'endez, Andr\'es Rafael and Adjizian, J.-J. and Hautier, Geoffroy and Gonze, Xavier and Rignanese, G.-M. and Charlier, Jean Christophe},
journal = {Phys. {R}ev. {M}aterials},
volume = {2},
issue = {8},
pages = {085408},
numpages = {19},
year = {2018},
month = {Aug},
publisher = {American Physical Society},
doi = {10.1103/PhysRevMaterials.2.085408},
url = {https://link.aps.org/doi/10.1103/PhysRevMaterials.2.085408}
}

B. Van Troeye, A. Lherbier, J. C. Charlier, and X. Gonze, "Large phosphorene in-plane contraction induced by interlayer interactions in graphene-phosphorene heterostructures," Phys. Rev. Materials, vol. 2, p. 74001, 2018.
[Bibtex]

@article{vantroeye2018,
title = {Large phosphorene in-plane contraction induced by interlayer interactions in graphene-phosphorene heterostructures},
author = {Van Troeye, Benoit and Lherbier, Aur\'elien and Charlier, Jean Christophe and Gonze, Xavier},
journal = {Phys. {R}ev. {M}aterials},
volume = {2},
issue = {7},
pages = {074001},
numpages = {15},
year = {2018},
month = {Jul},
publisher = {American Physical Society},
doi = {10.1103/PhysRevMaterials.2.074001},
url = {https://link.aps.org/doi/10.1103/PhysRevMaterials.2.074001}
}

A. Champagne, F. Bourdarot, P. Bourges, P. Piekarz, D. Pinek, I. Gélard, J. C. Charlier, and T. Ouisse, "Phonon dispersion curves in Cr2AlC single-crystals," Materials Research Letters, vol. 6, iss. 7, pp. 378-383, 2018.
[Bibtex]

@article{champagne2018a,
author = {A. Champagne and F. Bourdarot and P. Bourges and P. Piekarz and D. Pinek and I. Gélard and J. C. Charlier and T. Ouisse},
title = {Phonon dispersion curves in {C}r2{A}l{C} single-crystals},
journal = {Materials {R}esearch {L}etters},
volume = {6},
number = {7},
pages = {378-383},
year = {2018},
publisher = {Taylor & Francis},
doi = {10.1080/21663831.2018.1463298},
URL = { https://doi.org/10.1080/21663831.2018.1463298},
eprint = {https://doi.org/10.1080/21663831.2018.1463298}
}

S. Dechamps, V. Nguyen, and J. Charlier, "Ab initio quantum transport in polycrystalline graphene," Nanoscale, vol. 10, pp. 7759-7768, 2018.
[Bibtex]

@Article{dechamps2018,
author ={Dechamps, Samuel and Nguyen, Viet-Hung and Charlier, Jean-Christophe},
title ={Ab initio quantum transport in polycrystalline graphene},
journal ={Nanoscale},
year ={2018},
volume ={10},
issue ={16},
pages ={7759-7768},
publisher ={The Royal Society of Chemistry},
doi ={10.1039/C8NR00289D},
url ={http://dx.doi.org/10.1039/C8NR00289D}
}

V. H. Nguyen and J. C. Charlier, "Klein tunneling and electron optics in Dirac-Weyl fermion systems with tilted energy dispersion," Phys. Rev. B, vol. 97, p. 235113, 2018.
[Bibtex]

@article{nguyen2018,
title = {Klein tunneling and electron optics in {D}irac-{W}eyl fermion systems with tilted energy dispersion},
author = {Nguyen, Viet Hung and Charlier, Jean Christophe},
journal = {Phys. {R}ev. {B}},
volume = {97},
issue = {23},
pages = {235113},
numpages = {6},
year = {2018},
month = {Jun},
publisher = {American Physical Society},
doi = {10.1103/PhysRevB.97.235113},
url = {https://link.aps.org/doi/10.1103/PhysRevB.97.235113}
}

M. Piquemal-Banci, R. Galceran, F. Godel, S. Caneva, M. Martin, R. S. Weatherup, P. R. Kidambi, K. Bouzehouane, S. Xavier, A. Anane, F. Petroff, A. Fert, S. M. Dubois, J. C. Charlier, J. Robertson, S. Hofmann, B. Dlubak, and P. Seneor, "Insulator-to-metallic spin-filtering in 2d-magnetic tunnel junctions based on hexagonal boron nitride," ACS Nano, vol. 12, iss. 5, pp. 4712-4718, 2018.
[Bibtex]

@article{piquemal2018,
author = {Piquemal-Banci, Maëlis and Galceran, Regina and Godel, Florian and Caneva, Sabina and Martin, Marie-Blandine and Weatherup, Robert S. and Kidambi, Piran R. and Bouzehouane, Karim and Xavier, Stephane and Anane, Abdelmadjid and Petroff, Frédéric and Fert, Albert and Dubois, Simon Mutien-Marie and Charlier, Jean Christophe and Robertson, John and Hofmann, Stephan and Dlubak, Bruno and Seneor, Pierre},
title = {Insulator-to-Metallic Spin-Filtering in 2D-Magnetic Tunnel Junctions Based on Hexagonal Boron Nitride},
journal = {A{CS} {N}ano},
volume = {12},
number = {5},
pages = {4712-4718},
year = {2018},
doi = {10.1021/acsnano.8b01354},
note ={PMID: 29697954},
URL = {https://doi.org/10.1021/acsnano.8b01354},
}

A. Champagne, L. Shi, T. Ouisse, B. Hackens, and J. C. Charlier, "Electronic and vibrational properties of V2C-based MXenes: from experiments to first-principles modeling," Phys. Rev. B, vol. 97, p. 115439, 2018.
[Bibtex]

@article{champagne2018,
title = {Electronic and vibrational properties of {V2C}-based {MX}enes: From experiments to first-principles modeling},
author = {Champagne, Aur\'elie and Shi, Lu and Ouisse, Thierry and Hackens, Beno\^{\i}t and Charlier, Jean Christophe},
journal = {Phys. {R}ev. {B}},
volume = {97},
issue = {11},
pages = {115439},
numpages = {11},
year = {2018},
month = {Mar},
publisher = {American Physical Society},
doi = {10.1103/PhysRevB.97.115439},
url = {https://link.aps.org/doi/10.1103/PhysRevB.97.115439}
}

N. Dardenne, G. Hautier, J. F. Gohy, J. C. Charlier, and G. M. Rignanese, "Ab initio calculations of open cell voltage in newly designed PTMA-based Li-ion organic radical batteries," Computational Materials Science, vol. 143, pp. 27-31, 2018.
[Bibtex]

@article{dardenne2018,
title = {Ab initio calculations of open cell voltage in newly designed {PTMA}-based {L}i-ion organic radical batteries},
author = {Dardenne, Nicolas and Hautier, Geoffroy and Gohy, Jean Fran�ois and Charlier, Jean Christophe
and Rignanese, Gian Marco},
language = {Anglais},
journal = {Computational {M}aterials {S}cience},
volume = {143},
pages = {27-31},
issn = {0927-0256},
doi = {10.1016/j.commatsci.2017.10.038},
publisher = {Elsevier BV},
year = {2018},
url = {http://hdl.handle.net/2078.1/189267}}

2017

M. Hammad, J. J. Adjizian, C. Sacré, B. Huet, J. C. Charlier, J. Raskin, and T. Pardoen, "Adhesionless and near-ideal contact behavior of graphene on Cu thin film," Carbon, vol. 122, pp. 446-450, 2017.
[Bibtex]

@article{hammad2017,
title = {Adhesionless and near-ideal contact behavior of graphene on {Cu} thin film},
author = {Hammad, Mohamed and Adjizian, Jean Joseph and Sacré, Charles-Henri and Huet, Benjamin and Charlier, Jean Christophe and Raskin, Jean-Pierre and Pardoen, Thomas},
language = {Anglais},
journal = {Carbon},
volume = {122},
pages = {446-450},
issn = {1873-3891},
doi = {10.1016/j.carbon.2017.06.037},
address = {Kidlington},
publisher = {Pergamon},
year = {2017},
url = {http://hdl.handle.net/2078.1/186747}}

F. Ben Romdhane, J. J. Adjizian, J. C. Charlier, and F. Banhart, "Electrical transport through atomic carbon chains: The role of contacts," Carbon, vol. 122, iss. -, pp. 92-97, 2017.
[Bibtex]

@article{romdhane2017,
title = {Electrical transport through atomic carbon chains: {T}he role of contacts},
author = {Ben Romdhane, Ferdaous and Adjizian, Jean Joseph and Charlier, Jean Christophe and Banhart, Florian},
language = {Anglais},
journal = {Carbon},
volume = {122},
number = {-},
pages = {92-97},
issn = {1873-3891},
doi = {10.1016/j.carbon.2017.06.039},
address = {Kidlington},
publisher = {Pergamon},
year = {2017},
url = {http://hdl.handle.net/2078.1/187829}}

A. Torche, F. Mauri, J. C. Charlier, and M. Calandra, "First-principles determination of the Raman fingerprint of rhombohedral graphite," Physical Review Materials, vol. 1, iss. 4, p. 41001, 2017.
[Bibtex]

@article{torche2017,
title = {First-principles determination of the {R}aman fingerprint of rhombohedral graphite},
author = {Torche, Abderrezak and Mauri, Francesco and Charlier, Jean Christophe and Calandra, Matteo},
language = {Anglais},
journal = {Physical {R}eview {M}aterials},
volume = {1},
number = {4},
pages = {041001},
issn = {2475-9953},
doi = {10.1103/PhysRevMaterials.1.041001},
publisher = {American Physical Society},
year = {2017},
url = {http://hdl.handle.net/2078.1/187830}}

V. Nguyen, A. Lherbier, and J. C. Charlier, "Optical Hall effect in strained graphene," 2D Materials, vol. 4, iss. 2, p. 25041, 2017.
[Bibtex]

@article{nguyen2017,
title = {Optical {H}all effect in strained graphene},
author = {Nguyen, Viet-Hung and Lherbier, Aurélien and Charlier, Jean Christophe},
language = {Anglais},
journal = {2{D} {M}aterials},
volume = {4},
number = {2},
pages = {025041},
issn = {2053-1583},
doi = {10.1088/2053-1583/aa5f8b},
year = {2017},
url = {http://hdl.handle.net/2078.1/184815}}

B. Mortazavi, A. Lherbier, Z. Fan, A. Harju, T. Rabczuk, and J. C. Charlier, "Thermal and electronic transport characteristics of highly stretchable graphene kirigami," Nanoscale, vol. 9, pp. 16329-16341, 2017.
[Bibtex]

@article{mortazavi2017,
title = {Thermal and electronic transport characteristics of highly stretchable graphene kirigami},
author = {Mortazavi, Bohayra and Lherbier, Aurélien and Fan, Zheyong and Harju, Ari and Rabczuk, Timon and Charlier, Jean Christophe},
language = {Anglais},
journal = {Nanoscale},
volume = {9},
pages = {16329-16341},
issn = {2040-3372},
doi = {10.1039/c7nr05231f},
publisher = {Royal Society of Chemistry (RSC)},
year = {2017},
url = {http://hdl.handle.net/2078.1/191987}}

N. Dardenne, R. Cardia, J. Li, G. Malloci, G. Cappellini, X. Blase, J. C. Charlier, and G. M. Rignanese, "Tuning Optical Properties of Dibenzochrysenes by Functionalization: A Many-Body Perturbation Theory Study," The Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, vol. 121, iss. 44, pp. 24480-24488, 2017.
[Bibtex]

@article{dardenne2017,
title = {Tuning {O}ptical {P}roperties of {D}ibenzochrysenes by {F}unctionalization: {A} {M}any-{B}ody {P}erturbation {T}heory {S}tudy},
author = {Dardenne, Nicolas and Cardia, Roberto and Li, Jing and Malloci, Giuliano and Cappellini, Giancarlo and Blase, Xavier and Charlier, Jean Christophe and Rignanese, Gian Marco},
language = {Anglais},
journal = {The {J}ournal of {P}hysical {C}hemistry {P}art {C}: {N}anomaterials and {I}nterfaces},
volume = {121},
number = {44},
pages = {24480-24488},
issn = {1932-7455},
doi = {10.1021/acs.jpcc.7b08601},
publisher = {American Chemical Society},
year = {2017},
url = {http://hdl.handle.net/2078.1/189183}}

2016

J. J. Adjizian, A. Vlandas, J. Rio, J. C. Charlier, and C. Ewel, "Ab initio infrared vibrational modes for neutral and charged small fullerenes (C20, C24, C26, C28, C30 and C60)," Philosophical transactions. Series A, Mathematical, physical, and engineering sciences, vol. 374, iss. -, p. -, 2016.
[Bibtex]

@article{adjizian2016a,
title = {Ab initio infrared vibrational modes for neutral and charged small fullerenes ({C}20, {C}24, {C}26, {C}28, {C}30 and {C}60)},
author = {Adjizian, Jean Joseph and Vlandas, Alexis and Rio, Jeremy and Charlier, Jean Christophe and Ewel, Chris},
language = {Anglais},
journal = {{P}hilosophical transactions. {S}eries {A}, {M}athematical, physical, and engineering sciences},
volume = {374},
number = {-},
pages = {-},
issn = {1471-2962},
doi = {10.1098/rsta.2015.0323},
publisher = {Royal Society},
year = {2016},
url = {http://hdl.handle.net/2078.1/181496}}

E. del Corro, A. R. Botello Mendez, Y. Gillet, A. L. Elias, H. Terrones, S. Feng, C. Fantini, D. Rhodes, N. Pradhan, L. Balicas, X. Gonze, J. C. Charlier, M. Terrones, and M. A. Pimenta, "Atypical Exciton-Phonon Interactions in WS2 and WSe2 Monolayers Revealed by Resonance Raman Spectroscopy," Nano Letters : a journal dedicated to nanoscience and nanotechnology, vol. 16, iss. 4, pp. 2363-2368, 2016.
[Bibtex]

@article{delcorro2016,
title = {Atypical {E}xciton-{P}honon {I}nteractions in {WS2} and {WSe2} {M}onolayers {R}evealed by {R}esonance {R}aman {S}pectroscopy},
author = {del Corro, Elena and Botello Mendez, Andr\'{e}s Rafael and Gillet, Yannick and Elias, Ana Laura and Terrones, Humberto and Feng, Simin and Fantini, Cristiano and Rhodes, Daniel and Pradhan, Narayan and Balicas, Luis and Gonze, Xavier and Charlier, Jean Christophe and Terrones, Mauricio and Pimenta, Marcos A.},
language = {Anglais},
journal = {{N}ano {L}etters : a journal dedicated to nanoscience and nanotechnology},
volume = {16},
number = {4},
pages = {2363-2368},
issn = {1530-6992},
doi = {10.1021/acs.nanolett.5b05096},
publisher = {American Chemical Society},
year = {2016},
url = {http://hdl.handle.net/2078.1/173451}}

R. Bonnet, A. Lherbier, C. Barraud, M. L. D. Rocca, P. Lafarge, and J. C. Charlier, "Charge transport through one-dimensional Moiré crystals," Scientific Reports, vol. 6, p. 19701, 2016.
[Bibtex]

@article{bonnet2016,
title = {Charge transport through one-dimensional {M}oir\'{e} crystals},
author = {Bonnet, Rom\'{e}o and Lherbier, Aur\'{e}lien and Barraud, Cl\'{e}ment and Rocca, Maria Luisa Della and Lafarge, Philippe and Charlier, Jean Christophe},
language = {Anglais},
journal = {{S}cientific {R}eports},
volume = {6},
pages = {19701},
issn = {2045-2322},
doi = {10.1038/srep19701},
address = {London},
publisher = {Nature Publishing Group},
year = {2016},
url = {http://hdl.handle.net/2078.1/171476}}

J. X. Lian, A. Lherbier, L. J. Wang, J. C. Charlier, D. Beljonne, and Y. Olivier, "Electronic Structure and Charge Transport in Nanostripped Graphene," The Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, vol. 120, iss. 36, pp. 20024-20032, 2016.
[Bibtex]

@article{lian2016,
title = {Electronic {S}tructure and {C}harge {T}ransport in {N}anostripped {G}raphene},
author = {Lian, J. X. and Lherbier, Aur\'{e}lien and Wang, L. J. and Charlier, Jean Christophe and Beljonne, D. and Olivier, Y.},
language = {Anglais},
journal = {{T}he {J}ournal of {P}hysical {C}hemistry {P}art {C}: {N}anomaterials and {I}nterfaces},
volume = {120},
number = {36},
pages = {20024-20032},
issn = {1932-7455},
doi = {10.1021/acs.jpcc.6b06265},
publisher = {American Chemical Society},
year = {2016},
url = {http://hdl.handle.net/2078.1/181977}}

A. Lherbier, A. R. Botello Mendez, and J. C. Charlier, "Electronic and optical properties of pristine and oxidized borophene," 2D Materials, vol. 3, iss. 4, p. 45006, 2016.
[Bibtex]

@article{lherbier2016,
title = {Electronic and optical properties of pristine and oxidized borophene},
author = {Lherbier, Aur\'{e}lien and Botello Mendez, Andr\'{e}s Rafael and Charlier, Jean Christophe},
language = {Anglais},
journal = {2{D} {M}aterials},
volume = {3},
number = {4},
pages = {045006},
issn = {2053-1583},
doi = {10.1088/2053-1583/3/4/045006},
year = {2016},
url = {http://hdl.handle.net/2078.1/181978}}

J. J. Adjizian, A. Lherbier, S. M-M. Dubois, A. R. Botello Mendez, and J. C. Charlier, "The electronic and transport properties of two-dimensional conjugated polymer networks including disorder," Nanoscale, vol. 8, iss. 3, pp. 1642-1651, 2016.
[Bibtex]

@article{adjizian2016,
title = {The electronic and transport properties of two-dimensional conjugated polymer networks including disorder},
author = {Adjizian, Jean Joseph and Lherbier, Aur\'{e}lien and Dubois, Simon M-M and Botello Mendez, Andr\'{e}s Rafael and Charlier, Jean Christophe},
language = {Anglais},
journal = {{N}anoscale},
volume = {8},
number = {3},
pages = {1642-1651},
issn = {2040-3372},
doi = {10.1039/C5NR06825H},
publisher = {National Center for Nanoscience and Technology},
year = {2016},
url = {http://hdl.handle.net/2078.1/170156}}

V. Nguyen, T. X. Hoang, P. Dollfus, and J. C. Charlier, "Transport properties through graphene grain boundaries: strain effects versus lattice symmetry," Nanoscale, vol. 8, iss. 22, pp. 11658-11673, 2016.
[Bibtex]

@article{nguyen2016a,
title = {Transport properties through graphene grain boundaries: strain effects versus lattice symmetry},
author = {Nguyen, Viet-Hung and Hoang, Trinh X. and Dollfus, P. and Charlier, Jean Christophe},
language = {Anglais},
journal = {{N}anoscale},
volume = {8},
number = {22},
pages = {11658-11673},
issn = {2040-3372},
doi = {10.1039/c6nr01359g},
publisher = {National Center for Nanoscience and Technology},
year = {2016},
url = {http://hdl.handle.net/2078.1/181976}}

V. Nguyen, S. Dechamps, P. Dollfus, and J. C. Charlier, "Valley Filtering and Electronic Optics Using Polycrystalline Graphene," Physical Review Letters, vol. 117, iss. 24, p. 247702, 2016.
[Bibtex]

@article{nguyen2016,
title = {Valley {F}iltering and {E}lectronic {O}ptics {U}sing {P}olycrystalline {G}raphene},
author = {Nguyen, Viet-Hung and Dechamps, Samuel and Dollfus, P. and Charlier, Jean Christophe},
language = {Anglais},
journal = {{P}hysical {R}eview {L}etters},
volume = {117},
number = {24},
pages = {247702},
issn = {1079-7114},
doi = {10.1103/PhysRevLett.117.247702},
publisher = {American Physical Society},
year = {2016},
url = {http://hdl.handle.net/2078.1/181980}}

2015

N. Dardenne, X. Blase, G. Hautier, J. C. Charlier, and G. M. Rignanese, "Ab Initio Calculations of Open-Cell Voltage in Li-Ion Organic Radical Batteries," The Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, vol. 119, iss. 41, pp. 23373-23378, 2015.
[Bibtex]

@article{dardenne2015,
title = {Ab {I}nitio {C}alculations of {O}pen-{C}ell {V}oltage in {L}i-{I}on {O}rganic {R}adical {B}atteries},
author = {Dardenne, Nicolas and Blase, Xavier and Hautier, Geoffroy and Charlier, Jean Christophe and Rignanese, Gian Marco},
language = {Anglais},
journal = {{T}he {J}ournal of {P}hysical {C}hemistry {P}art {C}: {N}anomaterials and {I}nterfaces},
volume = {119},
number = {41},
pages = {23373-23378},
issn = {1932-7455},
doi = {10.1021/acs.jpcc.5b07886},
publisher = {American Chemical Society},
year = {2015},
url = {http://hdl.handle.net/2078.1/165910}}

A. Lherbier, L. Liang, J. C. Charlier, and V. Meunier, "Charge carrier transport and separation in pristine and nitrogen-doped graphene nanowiggle heterostructures," Carbon, vol. 95, iss. ., pp. 833-842, 2015.
[Bibtex]

@article{lherbier2015,
title = {Charge carrier transport and separation in pristine and nitrogen-doped graphene nanowiggle heterostructures},
author = {Lherbier, Aur\'{e}lien and Liang, Liangbo and Charlier, Jean Christophe and Meunier, Vincent},
language = {Anglais},
journal = {{C}arbon},
volume = {95},
number = {.},
pages = {833-842},
issn = {1873-3891},
doi = {10.1016/j.carbon.2015.08.111},
address = {Amsterdam},
publisher = {Elservier},
year = {2015},
url = {http://hdl.handle.net/2078.1/165354}}

R. Romero Aburto, L. B. Alemany, T. K. Weldeghiorghis, S. Ozden, Z. Peng, A. Lherbier, A. R. Botello Mendez, C. S. Tiwary, J. Taha-Tijerina, Z. Yan, M. Tabata, J. C. Charlier, J. M. Tour, and P. M. Ajayan, "Chemical Makeup and Hydrophilic Behavior of Graphene Oxide Nanoribbons after Low-Temperature Fluorination," ACS Nano, vol. 9, iss. 7, pp. 7009-7018, 2015.
[Bibtex]

@article{romero2015,
title = {Chemical {M}akeup and {H}ydrophilic {B}ehavior of {G}raphene {O}xide {N}anoribbons after {L}ow-{T}emperature {F}luorination},
author = {Romero Aburto, Rebeca and Alemany, Lawrence B. and Weldeghiorghis, Thomas K. and Ozden, Sehmus and Peng, Zhiwei and Lherbier, Aur\'{e}lien and Botello Mendez, Andr\'{e}s Rafael and Tiwary, Chandra Sekhar and Taha-Tijerina, Jaime and Yan, Zheng and Tabata, Mika and Charlier, Jean Christophe and Tour, James M. and Ajayan, Pulickel M.},
language = {Anglais},
journal = {{A}{C}{S} {N}ano},
volume = {9},
number = {7},
pages = {7009-7018},
issn = {1936-086X},
doi = {10.1021/acsnano.5b01330},
publisher = {American Chemical Society},
year = {2015},
url = {http://hdl.handle.net/2078.1/165350}}

S. Roche, J. Ãkerman, B. Beschoten, J. C. Charlier, M. Chshiev, S. Prasad Dash, B. Dlubak, J. Fabian, A. Fert, M. Guimarães, F. Guinea, I. Grigorieva, C. Schönenberger, P. Seneor, C. Stampfer, S. O. Valenzuela, X. Waintal, and B. van Wees, "Graphene spintronics: the European Flagship perspective," 2D Materials, vol. 2, iss. 3, p. 30202, 2015.
[Bibtex]

@article{roche2015,
title = {Graphene spintronics: the {E}uropean {F}lagship perspective},
author = {Roche, Stephan and Ãkerman, Johan and Beschoten, Bernd and Charlier, Jean Christophe and Chshiev, Mairbek and Prasad Dash, Saroj and Dlubak, Bruno and Fabian, Jaroslav and Fert, Albert and Guimarães, Marcos and Guinea, Francisco and Grigorieva, Irina and Schönenberger, Christian and Seneor, Pierre and Stampfer, Christoph and Valenzuela, Sergio O and Waintal, Xavier and van Wees, Bart},
language = {Anglais},
journal = {2{D} {M}aterials},
volume = {2},
number = {3},
pages = {030202},
issn = {2053-1583},
doi = {10.1088/2053-1583/2/3/030202},
year = {2015},
url = {http://hdl.handle.net/2078.1/170905}}

D. Soriano, D. V. Tuan, S. M-M. Dubois, M. Gmitra, A. W. Cummings, D. Kochan, F. Ortmann, J. C. Charlier, J. Fabian, and S. Roche, "Spin transport in hydrogenated graphene," 2D Materials, vol. 2, iss. 2, p. 22002, 2015.
[Bibtex]

@article{soriano2015,
title = {Spin transport in hydrogenated graphene},
author = {Soriano, David and Tuan, Dinh Van and Dubois, Simon M-M and Gmitra, Martin and Cummings, Aron W and Kochan, Denis and Ortmann, Frank and Charlier, Jean Christophe and Fabian, Jaroslav and Roche, Stephan},
language = {Anglais},
journal = {2{D} {M}aterials},
volume = {2},
number = {2},
pages = {022002},
issn = {2053-1583},
doi = {10.1088/2053-1583/2/2/022002},
year = {2015},
url = {http://hdl.handle.net/2078.1/159598}}

A. La Torre, A. R. Botello Mendez, W. Baaziz, J. C. Charlier, and F. Banhart, "Strain-induced metal–semiconductor transition observed in atomic carbon chains," Nature Communications, vol. 6, p. 6636, 2015.
[Bibtex]

@article{latorre2015,
title = {Strain-induced metal–semiconductor transition observed in atomic carbon chains},
author = {La Torre, A. and Botello Mendez, Andr\'{e}s Rafael and Baaziz, W. and Charlier, Jean Christophe and Banhart, F.},
language = {Anglais},
journal = {{N}ature {C}ommunications},
volume = {6},
pages = {6636},
issn = {2041-1723},
doi = {10.1038/ncomms7636},
address = {London},
publisher = {Nature Publishing Group},
year = {2015},
url = {http://hdl.handle.net/2078.1/158554}}

H. Khalfoun, A. Lherbier, P. Lambin, L. Henrard, and J. C. Charlier, "Transport regimes in nitrogen-doped carbon nanotubes: perfect order, semi-random, and random disorder cases," Physical review. B, Condensed matter and materials physics, vol. 91, iss. 3, p. 35428, 2015.
[Bibtex]

@article{khalfoun2015,
title = {Transport regimes in nitrogen-doped carbon nanotubes: Perfect order, semi-random, and random disorder cases},
author = {Khalfoun, Hafid and Lherbier, Aur\'{e}lien and Lambin, Philippe and Henrard, Luc and Charlier, Jean Christophe},
language = {Anglais},
journal = {{P}hysical review. {B}, {C}ondensed matter and materials physics},
volume = {91},
number = {3},
pages = {035428},
issn = {1550-235X},
doi = {10.1103/PhysRevB.91.035428},
publisher = {American institute of physics},
year = {2015},
url = {http://hdl.handle.net/2078.1/155245}}

R. Lv, G. Chen, Q. Li, A. McCreary, A. R. Botello Mendez, S. V. Morozov, L. Liang, X. Declerck, N. Perea-López, D. A. Cullen, S. Feng, A. L. Elías, R. Cruz-Silva, K. Fujisawa, M. Endo, F. Kang, J. C. Charlier, V. Meunier, M. Pan, A. R. Harutyunyan, K. S. Novoselov, and M. Terrones, "Ultrasensitive gas detection of large-area boron-doped graphene," Proceedings of the National academy of sciences of the United States of America, p. 201505993, 2015.
[Bibtex]

@article{lv2015,
title = {Ultrasensitive gas detection of large-area boron-doped graphene},
author = {Lv, Ruitao and Chen, Gugang and Li, Qing and McCreary, Amber and Botello Mendez, Andr\'{e}s Rafael and Morozov, S. V. and Liang, Liangbo and Declerck, Xavier and Perea-L\'{o}pez, Nestor and Cullen, David A. and Feng, Simin and El\'{i}as, Ana Laura and Cruz-Silva, Rodolfo and Fujisawa, Kazunori and Endo, Morinobu and Kang, Feiyu and Charlier, Jean Christophe and Meunier, Vincent and Pan, Minghu and Harutyunyan, Avetik R. and Novoselov, Konstantin S. and Terrones, Mauricio},
language = {Anglais},
journal = {{P}roceedings of the {N}ational academy of sciences of the {U}nited {S}tates of {A}merica},
pages = {201505993},
issn = {1091-6490},
doi = {10.1073/pnas.1505993112},
publisher = {National academy of sciences},
year = {2015},
url = {http://hdl.handle.net/2078.1/166267}}

A. de Jamblinne de Meux, N. Leconte, J. C. Charlier, and A. Lherbier, "Velocity renormalization and Dirac cone multiplication in graphene superlattices with various barrier-edge geometries," Physical review. B, Condensed matter and materials physics, vol. 91, iss. 23, p. 235139, 2015.
[Bibtex]

@article{dejamblinne2015,
title = {Velocity renormalization and {D}irac cone multiplication in graphene superlattices with various barrier-edge geometries},
author = {de Jamblinne de Meux, Albert and Leconte, Nicolas and Charlier, Jean Christophe and Lherbier, Aur\'{e}lien},
language = {Anglais},
journal = {{P}hysical review. {B}, {C}ondensed matter and materials physics},
volume = {91},
number = {23},
pages = {235139},
issn = {1550-235X},
doi = {10.1103/PhysRevB.91.235139},
publisher = {American Physical Society},
year = {2015},
url = {http://hdl.handle.net/2078.1/166433}}

2014

A. R. Botello Mendez, S. M-M. Dubois, A. Lherbier, and J. C. Charlier, "Achievements of DFT for the investigation of graphene-related nanostructures," Accounts of Chemical Research, vol. 47, iss. 11, pp. 3292-3300, 2014.
[Bibtex]

@article{botello2014,
title = {Achievements of {DFT} for the investigation of graphene-related nanostructures},
author = {Botello Mendez, Andr\'{e}s Rafael and Dubois, Simon M-M and Lherbier, Aur\'{e}lien and Charlier, Jean Christophe},
language = {Anglais},
journal = {{A}ccounts of {C}hemical {R}esearch},
volume = {47},
number = {11},
pages = {3292-3300},
issn = {1520-4898},
doi = {10.1021/ar500281v},
publisher = {American Chemical Society},
year = {2014},
url = {http://hdl.handle.net/2078.1/154229}}

Z. J. Qi, J. A. Rodriguez-Manzo, A. R. Botello Mendez, S. J. Hong, E. A. Stach, Y. W. Park, J. C. Charlier, and A. T. C. Johnson, "Correlating atomic structure and transport in suspended graphene nanoribbons," Nano Letters : a journal dedicated to nanoscience and nanotechnology, vol. 14, iss. 8, pp. 4238-4244, 2014.
[Bibtex]

@article{qi2014,
title = {Correlating atomic structure and transport in suspended graphene nanoribbons},
author = {Qi, Z.J. and Rodriguez-Manzo, J.A. and Botello Mendez, Andr\'{e}s Rafael and Hong, S.J. and Stach, E.A. and Park, Y.W. and Charlier, Jean Christophe and Johnson, A.T.C.},
language = {Anglais},
journal = {{N}ano {L}etters : a journal dedicated to nanoscience and nanotechnology},
volume = {14},
number = {8},
pages = {4238-4244},
issn = {1530-6992},
doi = {10.1021/nl501872x},
publisher = {American Chemical Society},
year = {2014},
url = {http://hdl.handle.net/2078.1/145737}}

M. Monthioux and J. C. Charlier, "Given credit where credit is due: The Stone-(Thrower)-Wales designation revisited," Carbon, vol. 75, pp. 1-4, 2014.
[Bibtex]

@article{monthioux2014,
title = {Given credit where credit is due: {T}he {S}tone-({T}hrower)-{W}ales designation revisited},
author = {Monthioux, M. and Charlier, Jean Christophe},
language = {Anglais},
journal = {{C}arbon},
volume = {75},
pages = {1-4},
issn = {1873-3891},
doi = {10.1016/j.carbon.2014.03.054},
address = {(United Kingdom) Kidlington},
publisher = {Pergamon},
year = {2014},
url = {http://hdl.handle.net/2078.1/145734}}

N. Leconte, F. Ortmann, A. Cresti, J. C. Charlier, and S. Roche, "Quantum transport in chemically functionalized graphene at high magnetic field: defect-induced critical states and breakdown of electron-hole symmetry," 2D Materials, vol. 1, 2014.
[Bibtex]

@article{leconte2014,
title = {Quantum transport in chemically functionalized graphene at high magnetic field: defect-induced critical states and breakdown of electron-hole symmetry},
author = {Leconte, Nicolas and Ortmann, F. and Cresti, A. and Charlier, Jean Christophe and Roche, S.},
language = {Anglais},
journal = {2{D} {M}aterials},
volume = {1},
issn = {2053-1583},
doi = {10.1088/2053-1583/1/2/021001},
year = {2014},
url = {http://hdl.handle.net/2078.1/145736}}

A. Lherbier, H. Terrones, and J. C. Charlier, "Three-dimensional massless Dirac fermions in carbon schwarzites," Physical review. B, Condensed matter and materials physics, vol. 90, iss. 12, p. 125434, 2014.
[Bibtex]

@article{lherbier2014,
title = {Three-dimensional massless {D}irac fermions in carbon schwarzites},
author = {Lherbier, Aur\'{e}lien and Terrones, Humberto and Charlier, Jean Christophe},
language = {Anglais},
journal = {{P}hysical review. {B}, {C}ondensed matter and materials physics},
volume = {90},
number = {12},
pages = {125434},
issn = {1550-235X},
doi = {10.1103/PhysRevB.90.125434},
publisher = {American institute of physics},
year = {2014},
url = {http://hdl.handle.net/2078.1/155124}}

J. C. Randel, F. C. Niestemski, A. R. Botello Mendez, W. Mar, G. Ndabashimiye, S. Melinte, J. E. P. Dahl, R. M. K. Carlson, E. D. Butova, A. A. Fokin, P. R. Schreiner, J. C. Charlier, and H. C. Manoharan, "Unconventional molecule-resolved current rectification in diamondoid-fullerene hybrids," Nature Communications, vol. 5, p. 4877, 2014.
[Bibtex]

@article{randel2014,
title = {Unconventional molecule-resolved current rectification in diamondoid-fullerene hybrids},
author = {Randel, Jason C. and Niestemski, Francis C. and Botello Mendez, Andr\'{e}s Rafael and Mar, Warren and Ndabashimiye, Georges and Melinte, Sorin and Dahl, Jeremy E.P. and Carlson, Robert M.K. and Butova, Ekaterina D. and Fokin, Andrey A. and Schreiner, Peter R. and Charlier, Jean Christophe and Manoharan, Hari C.},
language = {Anglais},
journal = {{N}ature {C}ommunications},
volume = {5},
pages = {4877},
issn = {2041-1723},
doi = {10.1038/ncomms5877},
address = {(United Kingdom) London},
publisher = {Nature Publishing Group},
year = {2014},
url = {http://hdl.handle.net/2078.1/150818}}

2013

J. Campos Delgado, A. R. Botello Mendez, G. Algara-Siller, B. Hackens, T. Pardoen, U. Kaiser, M. S. Dresselhaus, J. C. Charlier, and J. Raskin, "CVD synthesis of mono- and few-layer graphene using alcohols at low hydrogen concentration and atmospheric pressure," Chemical Physics Letters, vol. 584, pp. 142-146, 2013.
[Bibtex]

@article{campos2013,
title = {{CVD} synthesis of mono- and few-layer graphene using alcohols at low hydrogen concentration and atmospheric pressure},
author = {Campos Delgado, Jessica and Botello Mendez, Andr\'{e}s Rafael and Algara-Siller, Gerardo and Hackens, Benoît and Pardoen, Thomas and Kaiser, Ute and Dresselhaus, Mildred S. and Charlier, Jean Christophe and Raskin, Jean-Pierre},
language = {Anglais},
journal = {{C}hemical {P}hysics {L}etters},
volume = {584},
pages = {142-146},
issn = {0009-2614},
doi = {10.1016/j.cplett.2013.08.031},
year = {2013},
url = {http://hdl.handle.net/2078.1/134943}}

O. Cretu, A. R. Botello Mendez, I. Janowska, C. Pham-Huu, J. C. Charlier, and F. Banhart, "Electrical conductivity measured in atomic carbon chains," Nano Letters : a journal dedicated to nanoscience and nanotechnology, vol. 13, iss. 8, pp. 3487-3493, 2013.
[Bibtex]

@article{cretu2013,
title = {Electrical conductivity measured in atomic carbon chains},
author = {Cretu, Ovidiu and Botello Mendez, Andr\'{e}s Rafael and Janowska, Izabela and Pham-Huu, Cuong and Charlier, Jean Christophe and Banhart, Florian},
language = {Anglais},
journal = {{N}ano {L}etters : a journal dedicated to nanoscience and nanotechnology},
volume = {13},
number = {8},
pages = {3487-3493},
issn = {1530-6992},
doi = {10.1021/nl4018918},
publisher = {American Chemical Society},
year = {2013},
url = {http://hdl.handle.net/2078.1/139191}}

A. Lherbier, A. R. Botello Mendez, and J. C. Charlier, "Electronic and transport properties of unbalanced sublattice N-doping in graphene," Nano Letters, vol. 13, iss. 4, pp. 1446-1450, 2013.
[Bibtex]

@article{lherbier2013a,
title = {Electronic and transport properties of unbalanced sublattice {N}-doping in graphene},
author = {Lherbier, Aur\'{e}lien and Botello Mendez, Andr\'{e}s Rafael and Charlier, Jean Christophe},
language = {Anglais},
journal = {{N}ano {L}etters},
volume = {13},
number = {4},
pages = {1446-1450},
issn = {1530-6984},
doi = {10.1021/nl304351z},
year = {2013},
url = {http://hdl.handle.net/2078.1/128177}}

A. Lherbier, S. Roche, O. A. Restrepo-Gutiérrez, Y. Niquet, A. Delcorte, and J. C. Charlier, "Highly defective graphene: A key prototype of two-dimensional Anderson insulators," Nano Research, vol. 6, pp. 326-334, 2013.
[Bibtex]

@article{lherbier2013,
title = {Highly defective graphene: {A} key prototype of two-dimensional {A}nderson insulators},
author = {Lherbier, Aur\'{e}lien and Roche, Stephan and Restrepo-Guti\'{e}rrez, Oscar Antonio and Niquet, Yann-Michel and Delcorte, Arnaud and Charlier, Jean Christophe},
language = {Anglais},
journal = {{N}ano {R}esearch},
volume = {6},
pages = {326-334},
issn = {1998-0000},
doi = {10.1007/s12274-013-0309-7},
year = {2013},
url = {http://hdl.handle.net/2078.1/128185}}

A. Berkdemir, H. Gutiérrez, A. R. Botello Mendez, N. Perea-Lopez, A. L. Elias, C. Chia, B. Wang, V. H. Crespi, F. Lopez-Urias, J. C. Charlier, H. Terrones, and M. Terrones, "Identification of individual and few layers of WS2 using Raman spectroscopy," Scientific Reports, vol. 3, iss. 1755 (30 A, 2013.
[Bibtex]

@article{berkdemir2013,
title = {Identification of individual and few layers of {WS}2 using {R}aman spectroscopy},
author = {Berkdemir, Ayse and Guti\'{e}rrez, Humberto and Botello Mendez, Andr\'{e}s Rafael and Perea-Lopez, Nestor and Elias, Ana Laura and Chia, Cheng-Ing and Wang, Bei and Crespi, Vincent H. and Lopez-Urias, Florentino and Charlier, Jean Christophe and Terrones, Humberto and Terrones, Mauricio},
language = {Anglais},
journal = {{S}cientific {R}eports},
volume = {3},
number = {1755 (30 A},
issn = {2045-2322},
doi = {10.1038/srep01755},
address = {London},
publisher = {Nature Publishing Group / Macmillan Publishers Limited},
year = {2013},
url = {http://hdl.handle.net/2078.1/130188}}

A. R. Botello Mendez, A. Lherbier, and J. C. Charlier, "Modeling electronic properties and quantum transport in doped and defective graphene," Solid State Communications, vol. 175-176, pp. 90-100, 2013.
[Bibtex]

@article{botello2013,
title = {Modeling electronic properties and quantum transport in doped and defective graphene},
author = {Botello Mendez, Andr\'{e}s Rafael and Lherbier, Aur\'{e}lien and Charlier, Jean Christophe},
language = {Anglais},
journal = {{S}olid {S}tate {C}ommunications},
volume = {175-176},
pages = {90-100},
issn = {1879-2766},
doi = {10.1016/j.ssc.2013.08.029},
address = {(United Kingdom) Kidlington},
publisher = {Pergamon},
year = {2013},
url = {http://hdl.handle.net/2078.1/137926}}

S. M-M. Dubois, X. Declerck, J. C. Charlier, and M. C. Payne, "Spin filtering and magneto-resistive effect at graphene/h-BN ribbons interface," ACS Nano, vol. 7, iss. 5, pp. 4578-4585, 2013.
[Bibtex]

@article{dubois2013,
title = {Spin filtering and magneto-resistive effect at graphene/h-{BN} ribbons interface},
author = {Dubois, Simon M-M and Declerck, Xavier and Charlier, Jean Christophe and Payne, M.C.},
language = {Anglais},
journal = {{A}{C}{S} {N}ano},
volume = {7},
number = {5},
pages = {4578-4585},
issn = {1936-086X},
doi = {10.1021/nn401322t},
address = {(United States) [S.l.]},
publisher = {American Chemical Society},
year = {2013},
url = {http://hdl.handle.net/2078.1/130191}}

2012

S. Guillaume, B. Zheng, J. C. Charlier, and L. Henrard, "Electronic properties and STM images of doped bilayer graphene," Physical review. B, Condensed matter and materials physics, vol. 85, iss. 035444, pp. 1-6, 2012.
[Bibtex]

@article{guillaume2012,
title = {Electronic properties and {STM} images of doped bilayer graphene},
author = {Guillaume, St\'{e}phane-Olivier and Zheng, Bing and Charlier, Jean Christophe and Henrard, Luc},
language = {Anglais},
journal = {{P}hysical review. {B}, {C}ondensed matter and materials physics},
volume = {85},
number = {035444},
pages = {1-6},
issn = {1550-235X},
doi = {10.1103/PhysRevB.85.035444},
address = {(United States) [S.l.]},
publisher = {American institute of physics},
year = {2012},
url = {http://hdl.handle.net/2078/117963}}

F. Joucken, Y. Tison, J. Lagoute, D. Cabosart, B. Zheng, A. R. Botello Mendez, and J. C. Charlier, "Localized state and charge transfer in nitrogen-doped graphene," Physical review. B, Condensed matter and materials physics, vol. 85, iss. 161408, pp. 1-5, 2012.
[Bibtex]

@article{joucken2012,
title = {Localized state and charge transfer in nitrogen-doped graphene},
author = {Joucken, Fr\'{e}d\'{e}ric and Tison, Yann and Lagoute, J\'{e}rôme and Cabosart, Damien and Zheng, Bing and Botello Mendez, Andr\'{e}s Rafael and Charlier, Jean Christophe},
language = {Anglais},
journal = {{P}hysical review. {B}, {C}ondensed matter and materials physics},
volume = {85},
number = {161408},
pages = {1-5},
issn = {1550-235X},
doi = {10.1103/PhysRevB.85.161408},
address = {(United States) [S.l.]},
publisher = {American institute of physics},
year = {2012},
url = {http://hdl.handle.net/2078/117958}}

R. Lv, Q. Li, A. R. Botello Mendez, and J. C. Charlier, "Nitrogen-doped graphene: beyond single substitution and enhanced molecular sensing," Scientific Reports, vol. 2, iss. 586, pp. 1-8, 2012.
[Bibtex]

@article{lv2012,
title = {Nitrogen-doped graphene: beyond single substitution and enhanced molecular sensing},
author = {Lv, Ruitao and Li, Qing and Botello Mendez, Andr\'{e}s Rafael and Charlier, Jean Christophe},
language = {Anglais},
journal = {{S}cientific {R}eports},
volume = {2},
number = {586},
pages = {1-8},
issn = {2045-2322},
doi = {10.1038/srep00586},
address = {(United Kingdom) London},
publisher = {Nature Publishing Group},
year = {2012},
url = {http://hdl.handle.net/2078/117924}}

S. Roche, N. Leconte, F. Ortmann, A. Lherbier, D. Soriano, and J. C. Charlier, "Quantum transport in disordered graphene: A theoretical perspective," Solid State Communications, vol. 152, pp. 1404-1410, 2012.
[Bibtex]

@article{roche2012,
title = {Quantum transport in disordered graphene: {A} theoretical perspective},
author = {Roche, Stephan and Leconte, Nicolas and Ortmann, Frank and Lherbier, Aur\'{e}lien and Soriano, David and Charlier, Jean Christophe},
language = {Anglais},
journal = {{S}olid {S}tate {C}ommunications},
volume = {152},
pages = {1404-1410},
issn = {1879-2766},
doi = {10.1016/j.ssc.2012.04.030},
address = {(United Kingdom) Kidlington},
publisher = {Pergamon},
year = {2012},
url = {http://hdl.handle.net/2078/117952}}

Z. Zanolli and J. C. Charlier, "Single-Molecule Sensing Using Carbon Nanotubes Decorated with Magnetic Clusters," ACS Nano, vol. 6, iss. 12, pp. 10786-10791, 2012.
[Bibtex]

@article{zanolli2012,
title = {Single-{M}olecule {S}ensing {U}sing {C}arbon {N}anotubes {D}ecorated with {M}agnetic {C}lusters},
author = {Zanolli, Zeila and Charlier, Jean Christophe},
language = {Anglais},
journal = {{A}{C}{S} {N}ano},
volume = {6},
number = {12},
pages = {10786-10791},
issn = {1936-086X},
doi = {10.1021/nn304111a},
address = {(United States) [S.l.]},
publisher = {American Chemical Society},
year = {2012},
url = {http://hdl.handle.net/2078/119950}}

A. Lherbier, S. M-M. Dubois, X. Declerck, Y. Niquet, S. Roche, and J. C. Charlier, "Transport properties of graphene containing structural defects," Physical review. B, Condensed matter and materials physics, vol. 86, iss. 075402, pp. 1-18, 2012.
[Bibtex]

@article{lherbier2012,
title = {Transport properties of graphene containing structural defects},
author = {Lherbier, Aur\'{e}lien and Dubois, Simon M-M and Declerck, Xavier and Niquet, Yann-Michel and Roche, Stephan and Charlier, Jean Christophe},
language = {Anglais},
journal = {{P}hysical review. {B}, {C}ondensed matter and materials physics},
volume = {86},
number = {075402},
pages = {1-18},
issn = {1550-235X},
doi = {10.1103/PhysRevB.86.075402},
address = {(United States) [S.l.]},
publisher = {American institute of physics},
year = {2012},
url = {http://hdl.handle.net/2078/117951}}

2011

G. Savini, Y. J. Dappe, S. Öberg, J. C. Charlier, M. I. Katsnelson, and A. Fasolino, "Bending modes, elastic constants and mechanical stability of graphitic systems," Carbon, vol. 49, 2011.
[Bibtex]

@article{savini2011,
title = {Bending modes, elastic constants and mechanical stability of graphitic systems},
author = {Savini, G. and Dappe, Y.J. and Öberg, S. and Charlier, Jean Christophe and Katsnelson, M.I. and Fasolino, A.},
language = {Anglais},
journal = {{C}arbon},
volume = {49},
issn = {1873-3891},
doi = {10.1016/j.carbon.2010.08.042},
address = {(United Kingdom) Kidlington},
publisher = {Pergamon},
year = {2011},
url = {http://hdl.handle.net/2078.1/97582}}

Z. Zanolli, R. Leghrib, A. Felten, J. Pireaux, E. Llobet, and J. C. Charlier, "Gas Sensing with Au-Decorated Carbon Nanotubes," Acs nano, vol. 5, iss. 6, pp. 4592-4599, 2011.
[Bibtex]

@article{zanolli2011,
title = {Gas {S}ensing with {A}u-{D}ecorated {C}arbon {N}anotubes},
author = {Zanolli, Zeila and Leghrib, Radouane and Felten, Alexandre and Pireaux, Jean-Jacques and Llobet, Eduard and Charlier, Jean Christophe},
language = {Anglais},
journal = {{A}cs nano},
volume = {5},
number = {6},
pages = {4592-4599},
issn = {1936-0851},
doi = {10.1021/nn200294h},
year = {2011},
url = {http://hdl.handle.net/2078/88954}}

D. Cheng, G. Barcaro, J. C. Charlier, M. Hou, and A. Fortunelli, "Homogeneous Nucleation of Graphitic Nanostructures from Carbon Chains on Ni(111)," Journal of physical chemistry c, vol. 115, iss. 21, pp. 10537-10543, 2011.
[Bibtex]

@article{cheng2011,
title = {Homogeneous {N}ucleation of {G}raphitic {N}anostructures from {C}arbon {C}hains on {N}i(111)},
author = {Cheng, Daojian and Barcaro, Giovanni and Charlier, Jean Christophe and Hou, Marc and Fortunelli, Alessandro},
language = {Anglais},
journal = {{J}ournal of physical chemistry c},
volume = {115},
number = {21},
pages = {10537-10543},
issn = {1932-7447},
doi = {10.1021/jp2028092},
year = {2011},
url = {http://hdl.handle.net/2078/88952}}

N. Leconte, D. Soriano, S. Roche, P. Ordejon, J. C. Charlier, and J. J. Palacios, "Magnetism-dependent transport phenomena in hydrogenated graphene: From spin-splitting to localization effects," Acs nano, vol. 5, iss. 5, pp. 3987-3992, 2011.
[Bibtex]

@article{leconte2011,
title = {Magnetism-Dependent Transport Phenomena in Hydrogenated Graphene: {F}rom Spin-Splitting to Localization Effects},
author = {Leconte, Nicolas and Soriano, David and Roche, Stephan and Ordejon, Pablo and Charlier, Jean Christophe and Palacios, J. J.},
language = {Anglais},
journal = {{A}cs nano},
volume = {5},
number = {5},
pages = {3987-3992},
issn = {1936-0851},
doi = {10.1021/nn200558d},
year = {2011},
url = {http://hdl.handle.net/2078/89225}}

D. Soriano, N. Leconte, P. Ordejon, J. C. Charlier, J. Palacios, and S. Roche, "Magnetoresistance and magnetic ordering fingerprints in hydrogenated graphene," Physical review letters, vol. 107, iss. 1, p. 16602, 2011.
[Bibtex]

@article{soriano2011,
title = {Magnetoresistance and Magnetic Ordering Fingerprints in Hydrogenated Graphene},
author = {Soriano, David and Leconte, Nicolas and Ordejon, Pablo and Charlier, Jean Christophe and Palacios, Juan-Jose and Roche, Stephan},
language = {Anglais},
journal = {{P}hysical review letters},
volume = {107},
number = {1},
pages = {016602},
issn = {0031-9007},
doi = {10.1103/PhysRevLett.107.016602},
year = {2011},
url = {http://hdl.handle.net/2078/88948}}

N. Perea-Lopez, B. Rebollo-Plata, J. Antonio Briones-Leon, A. Morelos-Gomez, D. Hernandez-Cruz, G. A. Hirata, V. Meunier, A. R. Botello Mendez, J. C. Charlier, B. Maruyama, E. Munoz-Sandoval, F. Lopez-Urias, M. Terrones, and H. Terrones, "Millimeter-long carbon nanotubes: Outstanding electron-emitting sources," Acs nano, vol. 5, iss. 6, pp. 5072-5077, 2011.
[Bibtex]

@article{perea2011,
title = {Millimeter-Long Carbon Nanotubes: {O}utstanding Electron-Emitting Sources},
author = {Perea-Lopez, Nestor and Rebollo-Plata, Bernabe and Antonio Briones-Leon, Juan and Morelos-Gomez, Aaron and Hernandez-Cruz, Daniel and Hirata, Gustavo A. and Meunier, Vincent and Botello Mendez, Andr\'{e}s Rafael and Charlier, Jean Christophe and Maruyama, Benji and Munoz-Sandoval, Emilio and Lopez-Urias, Florentino and Terrones, Mauricio and Terrones, Humberto},
language = {Anglais},
journal = {{A}cs nano},
volume = {5},
number = {6},
pages = {5072-5077},
issn = {1936-0851},
doi = {10.1021/nn201149y},
year = {2011},
url = {http://hdl.handle.net/2078/88955}}

A. R. Botello Mendez, X. Declerck, M. Terrones, H. Terrones, and J. C. Charlier, "One-dimensional extended lines of divacancy-defects in graphene," Nanoscale, vol. 3, 2011.
[Bibtex]

@article{botello2011,
title = {One-dimensional extended lines of divacancy-defects in Graphene},
author = {Botello Mendez, Andr\'{e}s Rafael and Declerck, Xavier and Terrones, M. and Terrones, H. and Charlier, Jean Christophe},
language = {Anglais},
journal = {{N}anoscale},
volume = {3},
issn = {2040-3372},
doi = {10.1039/C0NR00820F},
publisher = {Royal Society of Chemistry},
year = {2011},
url = {http://hdl.handle.net/2078.1/97591}}

E. Cruz-Silva, F. Lopez-Urias, E. Munoz-Sandoval, B. G. Sumpter, H. Terrones, J. C. Charlier, V. Meunier, and M. Terrones, "Phosphorus and phosphorus-nitrogen doped carbon nanotubes for ultrasensitive and selective molecular detection," Nanoscale, vol. 3, iss. 3, pp. 1008-1013, 2011.
[Bibtex]

@article{cruz2011,
title = {Phosphorus and phosphorus-nitrogen doped carbon nanotubes for ultrasensitive and selective molecular detection},
author = {Cruz-Silva, Eduardo and Lopez-Urias, Florentino and Munoz-Sandoval, Emilio and Sumpter, Bobby G. and Terrones, Humberto and Charlier, Jean Christophe and Meunier, Vincent and Terrones, Mauricio},
language = {Anglais},
journal = {{N}anoscale},
volume = {3},
number = {3},
pages = {1008-1013},
issn = {2040-3372},
doi = {10.1039/c0nr00519c},
year = {2011},
url = {http://hdl.handle.net/2078/89227}}

A. R. Botello Mendez, E. Cruz-Silva, J. M. Romo-Herrera, F. Lopez-Urias, M. Terrones, B. G. Sumpter, H. Terrones, J. C. Charlier, and V. Meunier, "Quantum transport in graphene nanonetworks," Nano letters, vol. 11, iss. 8, pp. 3058-3064, 2011.
[Bibtex]

@article{botello2011a,
title = {Quantum Transport in Graphene Nanonetworks},
author = {Botello Mendez, Andr\'{e}s Rafael and Cruz-Silva, Eduardo and Romo-Herrera, Jose M. and Lopez-Urias, Florentino and Terrones, Mauricio and Sumpter, Bobby G. and Terrones, Humberto and Charlier, Jean Christophe and Meunier, Vincent},
language = {Anglais},
journal = {{N}ano letters},
volume = {11},
number = {8},
pages = {3058-3064},
issn = {1530-6984},
doi = {10.1021/nl2002268},
year = {2011},
url = {http://hdl.handle.net/2078/88842}}

N. Leconte, A. Lherbier, F. Varchon, P. Ordejon, S. Roche, and J. C. Charlier, "Quantum transport in chemically modified two-dimensional graphene: From minimal conductivity to Anderson localization," Physical review. B, Condensed matter and materials physics, vol. 84, iss. 235420, pp. 1-12, 2011.
[Bibtex]

@article{leconte2011a,
title = {Quantum transport in chemically modified two-dimensional graphene: {F}rom minimal conductivity to {A}nderson localization},
author = {Leconte, Nicolas and Lherbier, Aur\'{e}lien and Varchon, Fran\c{c}ois and Ordejon, P. and Roche, S. and Charlier, Jean Christophe},
language = {Anglais},
journal = {{P}hysical review. {B}, {C}ondensed matter and materials physics},
volume = {84},
number = {235420},
pages = {1-12},
issn = {1550-235X},
doi = {10.1103/PhysRevB.84.235420},
address = {(United States) New York},
publisher = {American institute of physics},
year = {2011},
url = {http://hdl.handle.net/2078.1/95490}}

A. Lherbier, S. M-M. Dubois, X. Declerck, S. Roche, Y. Niquet, and J. C. Charlier, "Two-dimensional graphene with structural defects: elastic mean free path, minimum conductivity, and Anderson transition," Physical Review Letters, vol. 106, iss. 4, p. 46803, 2011.
[Bibtex]

@article{lherbier2011,
title = {Two-Dimensional Graphene with Structural Defects: Elastic Mean Free Path, Minimum Conductivity, and {A}nderson Transition},
author = {Lherbier, Aur\'{e}lien and Dubois, Simon M-M and Declerck, Xavier and Roche, Stephan and Niquet, Yann-Michel and Charlier, Jean Christophe},
language = {Anglais},
journal = {{P}hysical {R}eview {L}etters},
volume = {106},
number = {4},
pages = {046803},
issn = {1079-7114},
doi = {10.1103/PhysRevLett.106.046803},
address = {(United States) [S.l.]},
publisher = {American Physical Society},
year = {2011},
url = {http://hdl.handle.net/2078/89226}}