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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2022
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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 |