Simon M.-M. Dubois
Simon M.-M. Dubois
Research Associate @ Institute of Condensed Matter and Nanosciences, UCLouvain, Belgium
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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
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
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
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
Ideal strength of silicon: An ab initio study
SMM Dubois, GM Rignanese, T Pardoen, JC Charlier
Physical Review B 74 (23), 235203, 2006
Spin transport in hydrogenated graphene
D Soriano, D Van Tuan, SMM Dubois, M Gmitra, AW Cummings, ...
2D Materials 2 (2), 022002, 2015
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
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), 174111, 2020
The ONETEP linear-scaling density functional theory program
The Journal of Chemical Physics 152 (17), 174111, 2020
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
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
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
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
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
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
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
Universal spin diffusion length in polycrystalline graphene
AW Cummings, SMM Dubois, JC Charlier, S Roche
Nano letters 19 (10), 7418-7426, 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
First-principles prediction of lattice coherency in van der Waals heterostructures
B Van Troeye, A Lherbier, SMM Dubois, JC Charlier, X Gonze
arXiv preprint arXiv:1911.06846, 2019
Computational Atomistic Modeling in Carbon Flatland and Other 2D Nanomaterials
A Champagne, S Dechamps, SMM Dubois, A Lherbier, VH Nguyen, ...
Applied Sciences 10 (5), 1724, 2020
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