Effect of relaxation on the energetics and structure of anatase TiO 2 (101) surface

Surface Review and Letters

Volumn 13, Issue 6, 2006, Pages 825-831

  Ma, Xin Guo ^a   Tang, Chao Qun ^a   Yang, Xiao Hua ^a  

^a HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

Anatase; DFT; Electronic structure; Surface relaxation; TiO2

Indexed keywords

BAND STRUCTURE; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; TITANIUM DIOXIDE;

ATOMIC RELAXATIONS; DENSITY OF STATES; REHYBRIDIZATION; SURFACE BONDS;

SURFACE RELAXATION;

EID: 33847660517     PISSN: 0218625X     EISSN: None     Source Type: Journal    
DOI: 10.1142/S0218625X06008931     Document Type: Article

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