Search Results - "Lherbier, Aurélien"

Electronic and Transport Properties in Defective MoS2: Impact of Sulfur Vacancies by Gali, Sai Manoj, Pershin, Anton, Lherbier, Aurélien, Charlier, Jean-Christophe, Beljonne, David

“…Crystal impurities, such as atomic vacancies, are known to modulate the charge transport characteristics of two-dimensional (2D) materials. Here, we apply a…”
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Electronic and Transport Properties of Unbalanced Sublattice N‑Doping in Graphene by Lherbier, Aurélien, Botello-Méndez, Andrés Rafael, Charlier, Jean-Christophe

“…Using both first-principles techniques and a real-space Kubo-Greenwood approach, electronic and transport properties of nitrogen-doped graphene with a single…”
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Charge transport in chemically doped 2D graphene by Lherbier, Aurélien, Blase, X, Niquet, Yann-Michel, Triozon, François, Roche, Stephan

“…We report on a numerical study of electronic transport in chemically doped 2D graphene materials. By using ab initio calculations, a self-consistent scattering…”
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Transport properties of graphene containing structural defects by Lherbier, Aurélien, Dubois, Simon M.-M., Declerck, Xavier, Niquet, Yann-Michel, Roche, Stephan, Charlier, Jean-Christophe

“…We propose an extensive report on the simulation of electronic transport in two-dimensional graphene in presence of structural defects. Amongst the large…”
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Chemical Makeup and Hydrophilic Behavior of Graphene Oxide Nanoribbons after Low-Temperature Fluorination by Romero Aburto, Rebeca, Alemany, Lawrence B, Weldeghiorghis, Thomas K, Ozden, Sehmus, Peng, Zhiwei, Lherbier, Aurélien, Botello Méndez, Andrés Rafael, Tiwary, Chandra Sekhar, Taha-Tijerina, Jaime, Yan, Zheng, Tabata, Mika, Charlier, Jean-Christophe, Tour, James M, Ajayan, Pulickel M

“…Here we investigated the fluorination of graphene oxide nanoribbons (GONRs) using H2 and F2 gases at low temperature, below 200 °C, with the purpose of…”
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Three-dimensional massless Dirac fermions in carbon schwarzites by Lherbier, Aurélien, Terrones, Humberto, Charlier, Jean-Christophe

“…The discovery of gapless linear energy dispersion in low-dimensional carbon-based nanostructures had a tremendous impact on conventional condensed-matter…”
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Transport length scales in disordered graphene-based materials: strong localization regimes and dimensionality effects by Lherbier, Aurélien, Biel, Blanca, Niquet, Yann-Michel, Roche, Stephan

“…We report on a numerical study of quantum transport in disordered two dimensional graphene and graphene nanoribbons. By using the Kubo and the Landauer…”
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Damaging Graphene with Ozone Treatment: A Chemically Tunable Metal−Insulator Transition by Leconte, Nicolas, Moser, Joël, Ordejón, Pablo, Tao, Haihua, Lherbier, Aurélien, Bachtold, Adrian, Alsina, Francesc, Sotomayor Torres, Clivia M., Charlier, Jean-Christophe, Roche, Stephan

“…We present a multiscale ab initio study of electronic and transport properties of two-dimensional graphene after epoxide functionalization via ozone treatment…”
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Quantum transport in disordered graphene: A theoretical perspective by Roche, Stephan, Leconte, Nicolas, Ortmann, Frank, Lherbier, Aurélien, Soriano, David, Charlier, Jean-Christophe

“…The present theoretical review puts into perspective simulations of quantum transport properties in disordered graphene-based materials. In particular,…”
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Band widths and gaps from the Tran-Blaha functional: Comparison with many-body perturbation theory by Waroquiers, David, Lherbier, Aurélien, Miglio, Anna, Stankovski, Martin, Poncé, Samuel, Oliveira, Micael J. T., Giantomassi, Matteo, Rignanese, Gian-Marco, Gonze, Xavier

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Charge carrier transport and separation in pristine and nitrogen-doped graphene nanowiggle heterostructures by Lherbier, Aurélien, Liang, Liangbo, Charlier, Jean-Christophe, Meunier, Vincent

“…Electronic structure methods are combined into a multiscale framework to investigate the electronic transport properties of recently synthesized pristine and…”
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Charge transport through one-dimensional Moiré crystals by Bonnet, Roméo, Lherbier, Aurélien, Barraud, Clément, Rocca, Maria Luisa Della, Lafarge, Philippe, Charlier, Jean-Christophe

“…Moiré superlattices were generated in two-dimensional (2D) van der Waals heterostructures and have revealed intriguing electronic structures. The appearance of…”
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Highly defective graphene： A key prototype of two- dimensional Anderson insulators by Lherbier, Aurélien, Roche, Stephan, Restrepo, Oscar A., Niquet, Yann-Michel, Delcorte, Arnaud, Charlier, Jean-Christophe

“…Electronic structure and transport properties of highly defective two-dimensional （2D） sp2 graphene are investigated theoretically. Classical molecular…”
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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

“…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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Achievements of DFT for the Investigation of Graphene-Related Nanostructures by Botello-Méndez, Andrés R, Dubois, Simon M.-M, Lherbier, Aurélien, Charlier, Jean-Christophe

“…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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Orientational Dependence of Charge Transport in Disordered Silicon Nanowires by Persson, Martin P, Lherbier, Aurélien, Niquet, Yann-Michel, Triozon, François, Roche, Stephan

“…We report on a theoretical study of surface roughness effects on charge transport in silicon nanowires with three different crystalline orientations, [100],…”
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Quantum transport length scales in silicon-based semiconducting nanowires: Surface roughness effects by Lherbier, Aurélien, Persson, Martin P., Niquet, Yann-Michel, Triozon, François, Roche, Stephan

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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

“…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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Giant spin signals in chemically functionalized multiwall carbon nanotubes by Bonnet, Roméo, Martin, Pascal, Suffit, Stéphan, Lafarge, Philippe, Lherbier, Aurélien, Charlier, Jean-Christophe, Della Rocca, Maria Luisa, Barraud, Clément

“…A spin information is efficiently transmitted through a chemically modified multiwall carbon nanotube. Transporting quantum information such as the spin…”
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Atomistic simulations of charge transport in photoswitchable organic-graphene hybrids by Tonnelé, Claire, Pershin, Anton, Gali, Sai Manoj, Lherbier, Aurélien, Charlier, Jean-Christophe, Castet, Frédéric, Muccioli, Luca, Beljonne, David

“…Photoswitchable self-assembled monolayers (SAMs) in contact with a conductive or semiconductive layer can be used to remotely trigger changes in electrical…”
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