Origin of photocatalytic activity of W/N-codoped TiO2: H2 production and DFT calculation with GGA+U

Applied Catalysis B: Environmental

Volumn 152-153, Issue , 2014, Pages 73-81

  Gong, Jianyu ^a   Yang, Changzhu ^a   Zhang, Jingdong ^a   Pu, Wenhong ^a  

^a HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

First principle calculation; GGA+U; Hydrogen production; N and W codoped TiO2; Photocatalysis

Indexed keywords

CO-DOPED TIO; FIRST PRINCIPLE CALCULATIONS; GENERALIZED GRADIENT APPROXIMATIONS; GGA + U; INTERMEDIATE ENERGIES; LOCAL POLARIZATION FIELDS; PHOTOCATALYTIC ACTIVITIES; PHOTOCATALYTIC EFFICIENCY;

AZO DYES; COMPUTER SIMULATION; DENSITY FUNCTIONAL THEORY; ENERGY GAP; HYDROGEN PRODUCTION; PHOTOCATALYSIS; TITANIUM;

TITANIUM DIOXIDE;

EID: 84893627541     PISSN: 09263373     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apcatb.2014.01.028     Document Type: Article

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