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...

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Detalles Bibliográficos
Autores principales: Linnera, Jarno, Sansone, Giuseppe, Maschio, Lorenzo, Karttunen, Antti J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2018
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

Internet

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

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