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

Engineering the Electronic Structure towards Visible Lights Photocatalysis of CaTiO<sub>3</sub> 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<sub>3</sub> perovskites. In this regard, (La/Ce-N/S) co-doped CaTiO<sub>3</sub> models were investigated for the first time using first-principles calculations ba...

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Bibliographic Details
Main Authors: Qiankai Zhang, Yang Wang, Yonggang Jia, Wenchao Yan, Qinghao Li, Jun Zhou, Kai Wu
Format: Article
Language:English
Published: MDPI AG 2023-10-01
Series:Molecules
Subjects:
CaTiO<sub>3</sub>
photocatalysis
first-principles calculations
co-doping
electronic structure
Online Access:https://www.mdpi.com/1420-3049/28/20/7134

Internet

https://www.mdpi.com/1420-3049/28/20/7134

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