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  • Your search results: "DuBois, Simon"
Showing 1 - 20 results of 139 for search '"DuBois, Simon"', query time: 1.56s Narrow search
  • 1
    Cover Image Journal Article
    Universal Spin Diffusion Length in Polycrystalline Graphene
    by Cummings, Aron W   Dubois, Simon M.-M   Charlier, Jean-Christophe   Roche, Stephan Published in Nano letters (09.10.2019)
    “...Graphene grown by chemical vapor deposition (CVD) is the most promising material for industrial-scale applications based on graphene monolayers. It also holds...”
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  • 2
    Cover Image Journal Article
    Anharmonic Infrared Spectroscopy through the Fourier Transform of Time Correlation Function Formalism in ONETEP
    by Vitale, Valerio   Dziedzic, Jacek   Dubois, Simon M.-M   Fangohr, Hans   Skylaris, Chris-Kriton Published in Journal of chemical theory and computation (00000000)
    “...Density functional theory molecular dynamics (DFT-MD) provides an efficient framework for accurately computing several types of spectra. The major benefit of...”
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  • 3
    Cover Image Journal Article
    Quantum Transport in Graphene Nanoribbons: Effects of Edge Reconstruction and Chemical Reactivity
    by Dubois, Simon M.-M   Lopez-Bezanilla, Alejandro   Cresti, Alessandro   Triozon, François   Biel, Blanca   Charlier, Jean-Christophe   Roche, Stephan Published in ACS nano (27.04.2010)
    “...We present first-principles transport calculations of graphene nanoribbons with chemically reconstructed edge profiles. Depending on the geometry of the defect...”
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  • 4
    Cover Image Journal Article
    Two-dimensional graphene with structural defects: elastic mean free path, minimum conductivity, and Anderson transition
    by Lherbier, Aurélien   Dubois, Simon M-M   Declerck, Xavier   Roche, Stephan   Niquet, Yann-Michel   Charlier, Jean-Christophe Published in Physical review letters (28.01.2011)
    “...Quantum transport properties of disordered graphene with structural defects (Stone-Wales and divacancies) are investigated using a realistic π-π* tight-binding...”
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  • 5
    Cover Image Journal Article
    The ONETEP linear-scaling density functional theory program
    by Prentice, Joseph C. A   Aarons, Jolyon   Womack, James C   Allen, Alice E. A   Andrinopoulos, Lampros   Anton, Lucian   Bell, Robert A   Bhandari, Arihant   Bramley, Gabriel A   Charlton, Robert J   Clements, Rebecca J   Cole, Daniel J   Constantinescu, Gabriel   Corsetti, Fabiano   Dubois, Simon M.-M   Duff, Kevin K. B   Escartín, José María   Greco, Andrea   Hill, Quintin   Lee, Louis P   Linscott, Edward   O’Regan, David D   Phipps, Maximillian J. S   Ratcliff, Laura E   Serrano, Álvaro Ruiz   Tait, Edward W   Teobaldi, Gilberto   Vitale, Valerio   Yeung, Nelson   Zuehlsdorff, Tim J   Dziedzic, Jacek   Haynes, Peter D   Hine, Nicholas D. M   Mostofi, Arash A   Payne, Mike C   Skylaris, Chris-Kriton Published in The Journal of chemical physics (07.05.2020)
    “...We present an overview of the onetep program for linear-scaling density functional theory (DFT) calculations with large basis set (plane-wave) accuracy on...”
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  • 6
    Cover Image Journal Article
    Electronic transport calculations in the onetep code: Implementation and applications
    by Bell, Robert A   Dubois, Simon M.-M   Payne, Michael C   Mostofi, Arash A Published in Computer physics communications (01.08.2015)
    “...We present an approach for computing Landauer–Büttiker ballistic electronic transport for multi-lead devices containing thousands of atoms. The method is...”
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  • 7
    Cover Image Journal Article
    Spin filtering by proximity effects at hybridized interfaces in spin-valves with 2D graphene barriers
    by Piquemal-Banci, Maëlis   Galceran, Regina   Dubois, Simon M.-M   Zatko, Victor   Galbiati, Marta   Godel, Florian   Martin, Marie-Blandine   Weatherup, Robert   Petroff, Frédéric   Fert, Albert   Charlier, Jean-Christophe   Robertson, John   Hofmann, Stephan   Dlubak, Bruno   Séneor, Pierre Published in Nature communications (09.11.2020)
    “...We report on spin transport in state-of-the-art epitaxial monolayer graphene based 2D magnetic tunnel junctions (2D-MTJs). In our measurements, supported by...”
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  • 8
    Cover Image Journal Article
    Translating E-Mental Health Into Practice: What Are the Barriers and Enablers to E-Mental Health Implementation by Aboriginal and Torres Strait Islander Health Professionals?
    by Bennett-Levy, James   Singer, Judy   DuBois, Simon   Hyde, Kelly Published in Journal of medical Internet research (11.01.2017)
    “...With increasing evidence for the effectiveness of e-mental health interventions for enhancing mental health and well-being, a growing challenge is how to...”
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  • 9
    Cover Image Journal Article
    Insulator-to-Metallic Spin-Filtering in 2D-Magnetic Tunnel Junctions Based on Hexagonal Boron Nitride
    by Piquemal-Banci, Maëlis   Galceran, Regina   Godel, Florian   Caneva, Sabina   Martin, Marie-Blandine   Weatherup, Robert S   Kidambi, Piran R   Bouzehouane, Karim   Xavier, Stephane   Anane, Abdelmadjid   Petroff, Frédéric   Fert, Albert   Dubois, Simon Mutien-Marie   Charlier, Jean-Christophe   Robertson, John   Hofmann, Stephan   Dlubak, Bruno   Seneor, Pierre Published in ACS nano (22.05.2018)
    “...We report on the integration of atomically thin 2D insulating hexagonal boron nitride (h-BN) tunnel barriers into magnetic tunnel junctions (2D-MTJs) by...”
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  • 10
    Cover Image Journal Article
    Achievements of DFT for the Investigation of Graphene-Related Nanostructures
    by Botello-Méndez, Andrés R   Dubois, Simon M.-M   Lherbier, Aurélien   Charlier, Jean-Christophe Published in Accounts of chemical research (18.11.2014)
    “...Conspectus Graphene-related nanostructures stand out as exceptional materials due to both their wide range of properties and their expanse of interest in both...”
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  • 11
    Cover Image Journal Article
    Band-Structure Spin-Filtering in Vertical Spin Valves Based on Chemical Vapor Deposited WS2
    by Zatko, Victor   Galbiati, Marta   Dubois, Simon Mutien-Marie   Och, Mauro   Palczynski, Pawel   Mattevi, Cecilia   Brus, Pierre   Bezencenet, Odile   Martin, Marie-Blandine   Servet, Bernard   Charlier, Jean-Christophe   Godel, Florian   Vecchiola, Aymeric   Bouzehouane, Karim   Collin, Sophie   Petroff, Frédéric   Dlubak, Bruno   Seneor, Pierre Published in ACS nano (24.12.2019)
    “...We report on spin transport in WS2-based 2D-magnetic tunnel junctions (2D-MTJs), unveiling a band structure spin filtering effect specific to the transition...”
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  • 12
    Cover Image Journal Article
    Computational Atomistic Modeling in Carbon Flatland and Other 2D Nanomaterials
    by Champagne, Aurélie   Dechamps, Samuel   Dubois, Simon M.-M   Lherbier, Aurélien   Nguyen, Viet-Hung   Charlier, Jean-Christophe Published in Applied sciences (03.03.2020)
    “...As in many countries, the rise of nanosciences in Belgium has been triggered in the eighties in the one hand, by the development of scanning tunneling and...”
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  • 13
    Cover Image Journal Article
    Transport properties of graphene containing structural defects
    by Lherbier, Aurélien   Dubois, Simon M.-M   Declerck, Xavier   Niquet, Yann-Michel   Roche, Stephan   Charlier, Jean-Christophe Published in Physical review. B, Condensed matter and materials physics (01.08.2012)
    “...We propose an extensive report on the simulation of electronic transport in 2D graphene in presence of structural defects. Amongst the large variety of such...”
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  • 14
    Cover Image Journal Article
    Path to Overcome Material and Fundamental Obstacles in Spin Valves Based on MoS2 and Other Transition-Metal Dichalcogenides
    by Galbiati, Marta   Tatay, Sergio   Dubois, Simon M.-M   Godel, Florian   Galceran, Regina   Mañas-Valero, Samuel   Piquemal-Banci, Maëlis   Vecchiola, Aymeric   Charlier, Jean-Christophe   Forment-Aliaga, Alicia   Coronado, Eugenio   Dlubak, Bruno   Seneor, Pierre Published in Physical review applied (01.10.2019)
    “...Experimental studies on spin valves with exfoliated 2D materials face the main technological issue of ferromagnetic electrode oxidation during the 2Ds...”
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  • 15
    Cover Image Journal Article
    The electronic and transport properties of two-dimensional conjugated polymer networks including disorder
    by Adjizian, Jean-Joseph   Lherbier, Aurélien   M-M Dubois, Simon   Botello-Méndez, Andrés Rafael   Charlier, Jean-Christophe Published in Nanoscale (21.01.2016)
    “...Two-dimensional (2D) conjugated polymers exhibit electronic structures analogous to that of graphene with the peculiarity of π-π* bands which are fully...”
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  • 16
    Cover Image Journal Article
    Spin transport in hydrogenated graphene
    by Soriano, David   Tuan, Dinh Van   Dubois, Simon M-M   Gmitra, Martin   Cummings, Aron W   Kochan, Denis   Ortmann, Frank   Charlier, Jean-Christophe   Fabian, Jaroslav   Roche, Stephan Published in 2d materials (27.05.2015)
    “...In this review we discuss the multifaceted problem of spin transport in hydrogenated graphene from a theoretical perspective. The current experimental findings...”
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  • 17
    Cover Image Publication
    Path to overcome material and fundamental obstacles in spin valves based on Mo S2 and other transition-metal dichalcogenides
    by Galbiati, Marta   Tatay Aguilar, Sergio   Dubois, Simon M. -M   Godel, Florian   Galceran, Regina   Mañas Valero, Samuel   Piquemal-Banci, M   Vecchiola, Aymeric   Charlier, Jean-Christophe   Forment Aliaga, Alicia   Coronado Miralles, Eugenio   Dlubak, Bruno   Seneor, Pierre
    01.01.2019
    “...Experimental studies on spin valves with exfoliated 2D materials face the main technological issue of ferromagnetic electrode oxidation during the 2Ds...”
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  • 18
    Cover Image Journal Article
    Universal Spin Diffusion Length in Polycrystalline Graphene
    by Cummings, Aron W   Dubois, Simon M-M   Charlier, Jean-Christophe   Roche, Stephan Published in Nano Letters (2019)
    “...Graphene grown by chemical vapor deposition (CVD) is the most promising material for industrial-scale applications based on graphene monolayers. It also holds...”
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  • 19
    Cover Image Journal Article
    Spin Filtering and Magneto-Resistive Effect at the Graphene/h‑BN Ribbon Interface
    by Dubois, Simon Mutien-Marie   Declerck, Xavier   Charlier, J.-C   Payne, Michael C Published in ACS nano (28.05.2013)
    “...Advances in the realization of hybrid graphene/h-BN materials open new ways to control the electronic properties of graphene nanostructures. In this paper, the...”
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  • 20
    Cover Image Journal Article
    The electronic and transport properties of two-dimensional conjugated polymer networks including disorderElectronic supplementary information (ESI) available. See DOI: 10.1039/c5nr...
    by Adjizian, Jean-Joseph   Lherbier, Aurélien   - Dubois, Simon   Botello-Méndez, Andrés Rafael   Charlier, Jean-Christophe
    07.01.2016
    “...Two-dimensional (2D) conjugated polymers exhibit electronic structures analogous to that of graphene with the peculiarity of π-π* bands which are fully...”
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