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Density functional theory (DFT) investigation on the structure and photocatalysis properties of double-perovskite Gd(1−x)Ca(x)BaCo(2)O(5+δ) (0 ≤ x ≤ 0.4)

GdBaCo(2)O(5+δ) (GCBC) has been widely used in various applications because of its unique structural characteristics. However, calcium-doped GCBC materials have not been comprehensively studied in terms of their structure and catalytic properties. Based on the first-principles density functional the...

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Detalles Bibliográficos
Autores principales:	Zhang, Rong, Xiang, Bo, Xu, Lei, Xia, Liru, Lu, Chunhua
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2019
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9065543/ https://www.ncbi.nlm.nih.gov/pubmed/35514711 http://dx.doi.org/10.1039/c9ra02820j

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