Mechanism of enhanced photocatalytic activities on N-doped La2Ti2O7: An insight from density-functional calculations

International Journal of Hydrogen Energy

Volumn 40, Issue 2, 2015, Pages 980-989

  Ma, Zuju ^a   Wu, Kechen ^a   Sa, Rongjian ^a   Li, Qiaohong ^a   He, Chao ^a   Yi, Zhiguo ^a  

^a FUJIAN INSTITUTE OF RESEARCH ON THE STRUCTURE OF MATTER   (China)

Author keywords

Ab initio calculation; Anionic doping; Electronic structure; Photocatalyst; Wide band gap

Indexed keywords

ATOMS; CALCULATIONS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ENERGY GAP; OXYGEN; OXYGEN VACANCIES; PHOTOCATALYSIS; PHOTOCATALYSTS; REDOX REACTIONS;

AB INITIO CALCULATIONS; DENSITY-FUNCTIONAL CALCULATIONS; DOPING CONCENTRATION; PHOTOCATALYTIC ACTIVITIES; PHOTOEXCITED CARRIERS; RECOMBINATION CENTERS; STRUCTURE-PROPERTIES RELATIONS; WIDE BAND GAP;

DOPING (ADDITIVES);

EID: 84916878455     PISSN: 03603199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijhydene.2014.11.088     Document Type: Article

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