S
Simon M-M Dubois
Researcher at Université catholique de Louvain
Publications - 26
Citations - 1171
Simon M-M Dubois is an academic researcher from Université catholique de Louvain. The author has contributed to research in topics: Graphene & Spintronics. The author has an hindex of 13, co-authored 24 publications receiving 951 citations. Previous affiliations of Simon M-M Dubois include Université Paris-Saclay & University of Cambridge.
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Journal ArticleDOI
Electronic properties and quantum transport in Graphene-based nanostructures
TL;DR: In this article, the electronic and quantum transport properties of carbon nanomaterials are reviewed, and defects are used as tools to taylor the quantum conductance in these materials.
Journal ArticleDOI
Transport properties of graphene containing structural defects
Aurélien Lherbier,Simon M-M Dubois,Xavier Declerck,Yann-Michel Niquet,Stephan Roche,Stephan Roche,Jean-Christophe Charlier +6 more
TL;DR: In this paper, an extensive report on the simulation of electronic transport in two-dimensional graphene in the presence of structural defects is presented, focusing on the Stone-Wales defect and on two divacancy-type reconstructed defects.
Journal ArticleDOI
The ONETEP linear-scaling density functional theory program.
Joseph C. A. Prentice,Jolyon Aarons,James C. Womack,Alice E. A. Allen,Lampros Andrinopoulos,Lucian Anton,Robert A. Bell,Arihant Bhandari,Gabriel Bramley,Robert J. Charlton,Rebecca J. Clements,Daniel J. Cole,Gabriel C. Constantinescu,Fabiano Corsetti,Simon M-M Dubois,Kevin Kelsey Brian Duff,José María Escartín,Andrea Greco,Quintin Hill,Louis P. Lee,Edward Linscott,David D. O'Regan,Maximillian J. S. Phipps,Laura E. Ratcliff,Álvaro Ruiz Serrano,Edward Tait,Gilberto Teobaldi,Valerio Vitale,Nelson Yeung,Tim J. Zuehlsdorff,Jacek Dziedzic,Peter D. Haynes,Nicholas D. M. Hine,Arash A. Mostofi,Mike C. Payne,Chris-Kriton Skylaris +35 more
TL;DR: Calculations with onetep provide unique insights into large and complex systems that require an accurate atomic-level description, ranging from biomolecular to chemical, to materials, and to physical problems, as it is shown with a small selection of illustrative examples.
Journal ArticleDOI
Quantum Transport in Graphene Nanoribbons: Effects of Edge Reconstruction and Chemical Reactivity.
Simon M-M Dubois,Alejandro Lopez-Bezanilla,Alessandro Cresti,François Triozon,Blanca Biel,Jean-Christophe Charlier,Stephan Roche,Stephan Roche +7 more
TL;DR: First-principles transport calculations of graphene nanoribbons with chemically reconstructed edge profiles with tight-binding model derived from ab initio calculations find evidence for large conductance scaling fluctuations in disordered ribbons with lengths up to the micrometer scale.
Journal ArticleDOI
Two-dimensional graphene with structural defects: elastic mean free path, minimum conductivity, and Anderson transition.
Aurélien Lherbier,Simon M-M Dubois,Xavier Declerck,Stephan Roche,Yann-Michel Niquet,Jean-Christophe Charlier +5 more
TL;DR: Quantum transport properties of disordered graphene with structural defects (Stone-Wales and divacancies) are investigated using a realistic π-π* tight-binding model elaborated from ab initio calculations.