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 | 285 | 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 | 188 | 2012 |
The ONETEP linear-scaling density functional theory program The Journal of Chemical Physics 152 (17), 174111, 2020 | 142 | 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 | 109 | 2011 |
Ideal strength of silicon: An ab initio study SMM Dubois, GM Rignanese, T Pardoen, JC Charlier Physical Review B 74 (23), 235203, 2006 | 105 | 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 | 96 | 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 | 86 | 2018 |
Spin transport in hydrogenated graphene D Soriano, D Van Tuan, SMM Dubois, M Gmitra, AW Cummings, ... 2D Materials 2 (2), 022002, 2015 | 62 | 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 | 55 | 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 | 51 | 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 | 37 | 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 | 26 | 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 | 17 | 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 : Experiment and 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 |
Almost perfect spin filtering in graphene-based magnetic tunnel junctions V Zatko, SMM Dubois, F Godel, M Galbiati, J Peiro, A Sander, C Carretero, ... ACS nano 16 (9), 14007-14016, 2022 | 13 | 2022 |