Effects of oxygen doping on optical band gap and band edge positions of Ta3N5 photocatalyst: A GGA + U calculation

Journal of Catalysis

Volumn 309, Issue , 2014, Pages 291-299

  Wang, Jiajia ^a   Fang, Tao ^a   Zhang, Li ^a   Feng, Jianyong ^a   Li, Zhaosheng ^a   Zou, Zhigang ^a,b  

^a NANJING UNIVERSITY   (China)

^b NANJING UNIVERSITY OF INFORMATION SCIENCE AND TECHNOLOGY   (China)

Author keywords

Band edge positions; GGA + U method; Optical band gaps; Oxygen doped Ta3N5; Semiconductor photocatalysis

Indexed keywords

BAND EDGE POSITION; BAND GAP NARROWING; GGA + U; OXYGEN CONCENTRATIONS; OXYGEN-DOPED; PHOTOCATALYTIC PERFORMANCE; SEMICONDUCTOR PHOTOCATALYSIS; WATER OXIDATION;

OPTICAL BAND GAPS; SEMICONDUCTOR DOPING;

OXYGEN;

EID: 84887587284     PISSN: 00219517     EISSN: 10902694     Source Type: Journal    
DOI: 10.1016/j.jcat.2013.10.014     Document Type: Article

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