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pro vyhledávání: '"Romero, Robert"'
Efficient ab initio computational methods for the calculation of thermoelectric transport properties of materials are of great avail for energy harvesting technologies. The BoltzTraP code has been largely used to efficiently calculate thermoelectric
Externí odkaz:
http://arxiv.org/abs/2006.05506
An ultralow lattice thermal conductivity of 0.14 W$\cdot$ m$^{-1} \cdot$ K$^{-1}$ along the $\vec b$ axis of As$_2$Se$_3$ single crystals was obtained at 300 K by first-principles calculations involving the density functional theory and the resolutio
Externí odkaz:
http://arxiv.org/abs/1710.02299
The electronic structure and thermoelectric properties of SnSe are studied by first-principles methods. The inclusion of van der Waals dispersive corrections improves the agreement of structural parameters with experiments. The bands structure and pr
Externí odkaz:
http://arxiv.org/abs/1612.05967
Autor:
Escobar-Arenas, Luis C., Marín-Cerón, Maria I., Restrepo-Moreno, Sergio A., Jaramillo, José M., Márquez-Romero, Robert E., Gamba, Nestor A., Barbosa-Espitia, Ángel, Min, Kyoungwon
Publikováno v:
In Journal of South American Earth Sciences January 2021 105
Publikováno v:
In Computational Materials Science September 2018 152:107-112
Publikováno v:
In Journal of Alloys and Compounds 15 August 2018 757:70-78