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pro vyhledávání: '"Chaves, Anderson S."'
We employed first-principles calculations to investigate the thermoelectric transport properties of the compound As$_2$Se$_3$. Early experiments and calculations have indicated that these properties are controlled by a kind of native defect called an
Externí odkaz:
http://arxiv.org/abs/2307.14078
Autor:
Chaves, Anderson S., Pizzochero, Michele, Larson, Daniel T., Antonelli, Alex, Kaxiras, Efthimios
Thermoelectrics are a promising class of materials for renewable energy owing to their capability to generate electricity from waste heat, with their performance being governed by a competition between charge and thermal transport. A detailed underst
Externí odkaz:
http://arxiv.org/abs/2302.00202
The record-breaking thermoelectric performance of tin selenide (SnSe) has motivated the investigation of analogue compounds with the same structure. A promising candidate that emerged recently is germanium selenide (GeSe). Here, using extensive first
Externí odkaz:
http://arxiv.org/abs/2202.05986
Publikováno v:
Phys. Rev. B 104, 115204 (2021)
Excellent thermoelectric performance in the out-of-layer n-doped SnSe has been observed experimentally (Chang et al., Science 360, 778-783 (2018)). However, a first-principles investigation of the dominant scattering mechanisms governing all thermoel
Externí odkaz:
http://arxiv.org/abs/2107.02957
Publikováno v:
Phys. Rev. B 102, 125116 (2020)
The coupling between electrons and phonons in solids plays a central role in describing many phenomena, including superconductivity and thermoelecric transport. Calculations of this coupling are exceedingly demanding as they necessitate integrations
Externí odkaz:
http://arxiv.org/abs/2006.16954
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
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Publikováno v:
Journal of Chemical Physics; 2017, Vol. 146 Issue 16, p1-12, 12p, 4 Diagrams, 3 Charts, 3 Graphs
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