Toward the Design of New Suitable Materials for Solar Water Splitting Using Density Functional Theory

[Image: see text] We report key results of a systematic computational investigation using density functional theory along with the two standard Perdew–Burke–Ernzerhof and hybrid Heyd–Scuseria–Ernzerhof (HSE06) exchange–correlation formalisms on essential fundamental parameters for solar energy conve...

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Detalles Bibliográficos
Autores principales: Harb, Moussab, Cavallo, Luigi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2018
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6643520/
https://www.ncbi.nlm.nih.gov/pubmed/31458397
http://dx.doi.org/10.1021/acsomega.8b02884

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6643520/
https://www.ncbi.nlm.nih.gov/pubmed/31458397
http://dx.doi.org/10.1021/acsomega.8b02884

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