Density functional theory study of the interaction of H 2 with pure and Ti-doped WO 3 (002) surfaces

Chinese Physics B

Volumn 21, Issue 2, 2012, Pages

  Hu, Ming ^a   Wang, Wei Dan ^a   Zeng, Peng ^a   Zeng, Jing ^a   Qin, Yu Xiang ^a  

^a TIANJIN UNIVERSITY   (China)

Author keywords

density functional theory; H 2 adsorption; Ti doped; WO 3 (002) surface

Indexed keywords

ADSORPTION ENERGIES; ADSORPTION MODEL; ADSORPTION SITE; ADSORPTION STRUCTURES; BRIDGING OXYGEN; DENSITY FUNCTIONAL THEORY CALCULATIONS; SENSING MECHANISM; SENSOR SENSITIVITY; SURFACE PLANES; THEORETICAL RESULT; THREE-TERM; TI DOPING; TI-DOPED;

ADSORPTION; DENSITY FUNCTIONAL THEORY; OXYGEN;

C (PROGRAMMING LANGUAGE);

EID: 84863148568     PISSN: 16741056     EISSN: None     Source Type: Journal    
DOI: 10.1088/1674-1056/21/2/023101     Document Type: Article

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