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Thermoelectric Properties of p-Type Cu(2)O, CuO, and NiO from Hybrid Density Functional Theory
[Image: see text] The electronic transport coefficients of three Earth-abundant metal oxides Cu(2)O, CuO, and NiO were investigated using hybrid density functional theory (DFT). Hybrid DFT methods combined with local Gaussian-type basis sets enabled band structure studies on both non-magnetic and ma...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6150688/ https://www.ncbi.nlm.nih.gov/pubmed/30258523 http://dx.doi.org/10.1021/acs.jpcc.8b04281 |