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Engineering the Electronic Structure towards Visible Lights Photocatalysis of CaTiO(3) Perovskites by Cation (La/Ce)-Anion (N/S) Co-Doping: A First-Principles Study

Cation-anion co-doping has proven to be an effective method of improving the photocatalytic performances of CaTiO(3) perovskites. In this regard, (La/Ce-N/S) co-doped CaTiO(3) models were investigated for the first time using first-principles calculations based on a supercell of 2 × 2 × 2 with La/Ce...

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Detalles Bibliográficos
Autores principales:	Zhang, Qiankai, Wang, Yang, Jia, Yonggang, Yan, Wenchao, Li, Qinghao, Zhou, Jun, Wu, Kai
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10608951/ https://www.ncbi.nlm.nih.gov/pubmed/37894613 http://dx.doi.org/10.3390/molecules28207134

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