Electronic properties and quantum transport in Graphene-based nanostructures SMM Dubois, Z Zanolli, X Declerck, JC Charlier
The European Physical Journal B-Condensed Matter and Complex Systems 72 (1 …, 2009
286 2009 Transport properties of graphene containing structural defects A Lherbier, SMM Dubois, X Declerck, YM Niquet, S Roche, JC Charlier
Physical Review B 86 (7), 075402, 2012
186 2012 The ONETEP linear-scaling density functional theory program JCA Prentice, J Aarons, JC Womack, AEA Allen, L Andrinopoulos, ...
The Journal of chemical physics 152 (17), 2020
132 2020 The ONETEP linear-scaling density functional theory program
The Journal of Chemical Physics 152 (17), 174111, 2020
132 2020 Two-dimensional graphene with structural defects: elastic mean free path, minimum conductivity, and Anderson transition A Lherbier, SMM Dubois, X Declerck, S Roche, YM Niquet, JC Charlier
Physical review letters 106 (4), 046803, 2011
108 2011 Ideal strength of silicon: An ab initio study SMM Dubois, GM Rignanese, T Pardoen, JC Charlier
Physical Review B 74 (23), 235203, 2006
97 2006 Quantum transport in graphene nanoribbons: Effects of edge reconstruction and chemical reactivity SMM Dubois, A Lopez-Bezanilla, A Cresti, F Triozon, B Biel, JC Charlier, ...
ACS nano 4 (4), 1971-1976, 2010
94 2010 Insulator-to-metallic spin-filtering in 2D-magnetic tunnel junctions based on hexagonal boron nitride M Piquemal-Banci, R Galceran, F Godel, S Caneva, MB Martin, ...
ACS nano 12 (5), 4712-4718, 2018
84 2018 Spin transport in hydrogenated graphene D Soriano, D Van Tuan, SMM Dubois, M Gmitra, AW Cummings, ...
2D Materials 2 (2), 022002, 2015
60 2015 Band-Structure Spin-Filtering in Vertical Spin Valves Based on Chemical Vapor Deposited WS2 V Zatko, M Galbiati, SMM Dubois, M Och, P Palczynski, C Mattevi, P Brus, ...
ACS nano 13 (12), 14468-14476, 2019
54 2019 Spin filtering by proximity effects at hybridized interfaces in spin-valves with 2D graphene barriers M Piquemal-Banci, R Galceran, SMM Dubois, RS Weatherup
Nature Communications, 2020
48 2020 Band-gap landscape engineering in large-scale 2D semiconductor van der Waals heterostructures V Zatko, SMM Dubois, F Godel, C Carrétéro, A Sander, S Collin, ...
ACS nano 15 (4), 7279-7289, 2021
32 2021 Achievements of DFT for the investigation of graphene-related nanostructures AR Botello-Mendez, SMM Dubois, A Lherbier, JC Charlier
Accounts of Chemical Research 47 (11), 3292-3300, 2014
25 2014 Spin Filtering and Magneto-Resistive Effect at the Graphene/h -BN Ribbon Interface SMM Dubois, X Declerck, JC Charlier, MC Payne
ACS nano 7 (5), 4578-4585, 2013
24 2013 Anharmonic Infrared Spectroscopy through the Fourier Transform of Time Correlation Function Formalism in ONETEP V Vitale, J Dziedzic, SMM Dubois, H Fangohr, CK Skylaris
Journal of Chemical Theory and Computation 11 (7), 3321-3332, 2015
23 2015 Universal spin diffusion length in polycrystalline graphene AW Cummings, SMM Dubois, JC Charlier, S Roche
Nano letters 19 (10), 7418-7426, 2019
22 2019 The electronic and transport properties of two-dimensional conjugated polymer networks including disorder JJ Adjizian, A Lherbier, SMM Dubois, AR Botello-Méndez, JC Charlier
Nanoscale 8 (3), 1642-1651, 2016
19 2016 Path to Overcome Material and Fundamental Obstacles in Spin Valves Based on MoS2 and Other Transition-Metal Dichalcogenides PS Marta Galbiati, Sergio Tatay, Simon M.-M. Dubois, Florian Godel, Regina ...
Phys. Rev. Applied 12 (4), 044022, 2019
16 2019 Electronic transport calculations in the onetep code: Implementation and applications RA Bell, SMM Dubois, MC Payne, AA Mostofi
Computer Physics Communications 193, 78-88, 2015
15 2015 Key role of electron-phonon interactions in the electronic conductivity of ab initio calculations A Nassour, V Mauchamp, W Yu, T Cabioch, L Piraux, V Gauthier-Brunet, ...
Physical Review B 93 (8), 085119, 2016
14 2016 
Jean-Christophe CharlierProfessor of PhysicsEmail verificata su uclouvain.be
