Density functional theory study of mixed-phase TiO2: Heterostructures and electronic properties

Journal of Molecular Modeling

Volumn 20, Issue 4, 2014, Pages

  Li, Wei Kun ^a,b   Hu, Peijun ^a,b,c   Lu, Guanzhong ^a   Gong, Xue Qing ^a,b  

^a RESEARCH INSTITUTE OF INDUSTRIAL CATALYSIS   (China)

^b EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^c QUEEN'S UNIVERSITY BELFAST   (United Kingdom)

Author keywords

Mixed phase materials; Photocatalysis; Photogenerated electrons holes; Titanium dioxide

Indexed keywords

NANOCOMPOSITE; TITANIUM DIOXIDE; TITANIUM;

ARTICLE; CHEMICAL STRUCTURE; CRYSTALLOGRAPHY; DENSITY FUNCTIONAL THEORY; ELECTRONICS; PHASE SEPARATION; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; CHEMICAL MODEL; CHEMISTRY;

MODELS, CHEMICAL; MODELS, MOLECULAR; TITANIUM;

EID: 84897120966     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-014-2215-7     Document Type: Article

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