Mono- and co-doped NaTaO3 for visible light photocatalysis

• Main Authors: Kanhere, Pushkar, Shenai, Prathamesh, Chakraborty, Sudip, Ahuja, Rajeev, Zheng, Jianwei, Chen, Zhong
• Other Authors: School of Materials Science & Engineering
• Format: Article
• Language: English
• Published: 2014
• Subjects: DRNTU::Science::Chemistry::Physical chemistry::Catalysis
• Online Access: https://hdl.handle.net/10356/103031; http://hdl.handle.net/10220/24416
• Institution: Nanyang Technological University

Electronic structures of doped NaTaO3 compounds are of significant interest to visible light photocatalysis. This work involves the study of the band gap, band edge potentials, and thermodynamic stability of certain mono-doped and co-doped NaTaO3 systems, using DFT-PBE as well as hybrid (PBE0) funct...