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3 results on '"Hieu, Do Minh"'

2. Electronic, Optical and Thermoelectric Properties of Two-Dimensional Molybdenum Carbon Mo 2 C-MXenes.

Author

Anh, Doan Thi Kieu, Minh, Pham Hong, Yamanoi, Kohei, Cadatal-Raduban, Marilou, Mui, Luong Viet, Hieu, Do Minh, and Hung, Nguyen Dai

Subjects
ELECTRONIC band structure, THERMOELECTRIC materials, THERMOELECTRIC apparatus & appliances, SEEBECK coefficient, ELECTRIC conductivity, MOLYBDENUM
Abstract

We investigate the structural, electronic, optical, and thermoelectric properties of three compositions of Mo2C-MXenes (Mo2CF2, Mo2C(OH)2, and Mo2CO2) from monolayer to multilayer by first principles calculation within Density Functional Theory (DFT) and Boltzmann transport theory. Firstly, the atomic structures of Mo2C-MXenes are optimized, and their respective structures are created with comparative research. Secondly, their electronic band structures and optical properties are studied in detail. The estimation of the bandgap energy of Mo2C-MXenes with its functionalization reveal that most Mo2CF2 and Mo2C(OH)2 layers are semiconductors, while Mo2CO2 behaves as a metal. The electrical and optical properties can be altered by controlling the on-surface functional groups and the number of layers. Computation of the thermoelectric (TE) properties of Mo2C-MXenes reveals that, upon heating to 600 K, Mo2CF2 and Mo2C(OH)2 exhibit a high Seebeck coefficient and a relatively high electrical conductivity. The Seebeck coefficient reaches ~400 µV K−1 at room temperature for all layers of Mo2CF2 MXenes. Our results prove that Mo2CF2 is considered a promising material for thermoelectric devices, while Mo2CO2 does not possess better thermoelectric performance. Mo2C-MXenes from monolayer to multilayer have outstanding properties, such as flexible bandgap energy and high thermal stability, making them promising candidates for many applications, including energy storage and electrode applications. [ABSTRACT FROM AUTHOR]

Published
2024
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3. Godunov type scheme for the linear wave equation with Coriolis source term

Author

Audusse, Emmanuel, Dellacherie, Stéphane, Hieu, Do Minh, Omnes, Pascal, Penel, Yohan, Numerical Analysis, Geophysics and Ecology (ANGE), Inria de Paris, Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria)-Laboratoire Jacques-Louis Lions (LJLL), Université Pierre et Marie Curie - Paris 6 (UPMC)-Université Paris Diderot - Paris 7 (UPD7)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Université Paris Diderot - Paris 7 (UPD7)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Analyse, Géométrie et Applications (LAGA), Université Paris 8 Vincennes-Saint-Denis (UP8)-Centre National de la Recherche Scientifique (CNRS)-Institut Galilée-Université Paris 13 (UP13), CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement - Direction Centre-Est (Cerema Direction Centre-Est), Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement (Cerema), NEEDS, Laboratoire Jacques-Louis Lions (LJLL), Université Pierre et Marie Curie - Paris 6 (UPMC)-Université Paris Diderot - Paris 7 (UPD7)-Centre National de la Recherche Scientifique (CNRS)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Université Paris Diderot - Paris 7 (UPD7)-Centre National de la Recherche Scientifique (CNRS)-Inria de Paris, Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria), Université Paris 8 Vincennes-Saint-Denis (UP8)-Université Paris 13 (UP13)-Institut Galilée-Centre National de la Recherche Scientifique (CNRS), and Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement - Direction Est (Cerema Direction Est)

Subjects
Physics::Computational Physics, Coriolis force, [INFO.INFO-MO]Computer Science [cs]/Modeling and Simulation, [MATH.MATH-NA]Mathematics [math]/Numerical Analysis [math.NA], Mathematics::Numerical Analysis
Abstract

International audience; We propose a method to explain the behavior of the Godunov finite volume scheme applied to the linear wave equation with Coriolis source term at low Froude number. In particular, we use the Hodge decomposition and we study the properties of the modified equation associated to the Godunov scheme. Based on the structure of the discrete kernel of the linear operator discretized by using the Godunov scheme, we clearly explain the inaccuracy of the classical Godunov scheme at low Froude number and we introduce the way to modify it to recover a good accuracy.

Published
2017
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