Search Results - "DuBois, Simon"

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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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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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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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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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...”

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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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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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...”

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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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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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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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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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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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...”

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...”

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...”

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...”

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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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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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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