Revisiting Photoemission and Inverse Photoemission Spectra of Nickel Oxide from First Principles: Implications for Solar Energy Conversion

[Image: see text] We use two different ab initio quantum mechanics methods, complete active space self-consistent field theory applied to electrostatically embedded clusters and periodic many-body G(0)W(0) calculations, to reanalyze the states formed in nickel(II) oxide upon electron addition and io...

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Detalles Bibliográficos
Autores principales: Alidoust, Nima, Toroker, Maytal Caspary, Carter, Emily A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2014
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4113244/
https://www.ncbi.nlm.nih.gov/pubmed/24689856
http://dx.doi.org/10.1021/jp500878s

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4113244/
https://www.ncbi.nlm.nih.gov/pubmed/24689856
http://dx.doi.org/10.1021/jp500878s

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