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Trends in Surface Oxygen Formation Energy in Perovskite Oxides

[Image: see text] Perovskite oxides comprise an important class of materials, and some of their applications depend on the surface reactivity characteristics. We calculated, using density functional theory, the surface O vacancy formation energy (E(Ovac)) for perovskite-structure oxides, with a tran...

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Detalles Bibliográficos
Autores principales:	Hinuma, Yoyo, Mine, Shinya, Toyao, Takashi, Shimizu, Ken-ichi
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2022
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9178614/ https://www.ncbi.nlm.nih.gov/pubmed/35694487 http://dx.doi.org/10.1021/acsomega.2c00702

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