Effects of native defects on the electronic structure and photocatalytic activity in anatase TiO2 by first principles calculations

Optik

Volumn 125, Issue 13, 2014, Pages 3145-3149

  Li, Chunxia ^a,b   Dang, Suihu ^a,b   Zhang, Caili ^a   Wang, Liping ^a   Han, Peide ^a  

^a TAIYUAN UNIVERSITY OF TECHNOLOGY   (China)

^b YANGTZE NORMAL UNIVERSITY   (China)

Author keywords

Density functional theory; Electronic structure; Optical property; Point defects

Indexed keywords

DEFECTS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ENERGY GAP; OPTICAL PROPERTIES; OXYGEN; PHOTOCATALYSIS; POINT DEFECTS;

ANATASE TIO; FIRST-PRINCIPLES CALCULATION; IMPURITY COMPENSATION; NATIVE POINT DEFECTS; OXYGEN INTERSTITIALS; PHOTOCATALYTIC ACTIVITIES; PHOTOCATALYTIC EFFICIENCY; UTILIZATION OF SOLAR LIGHT;

TITANIUM DIOXIDE;

EID: 84901754115     PISSN: 00304026     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijleo.2013.12.010     Document Type: Article

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