The adsorption of α-cyanoacrylic acid on anatase TiO2 (101) and (001) surfaces: A density functional theory study

Journal of Chemical Physics

Volumn 141, Issue 23, 2014, Pages

  Ma, Jin Gang ^a   Zhang, Cai Rong ^a   Gong, Ji Jun ^a   Yang, Bing ^b   Zhang, Hai Min ^a   Wang, Wei ^a   Wu, You Zhi ^a   Chen, Yu Hong ^a   Chen, Hong Shan ^c  

^a LANZHOU UNIVERSITY OF TECHNOLOGY   (China)

^b Jilin University   (China)

^c NORTHWEST NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; ELECTRON INJECTION; ELECTRONIC PROPERTIES; INTERFACE STATES; TITANIUM DIOXIDE;

ADJACENT SURFACES; ADSORPTION ENERGIES; DENSITY FUNCTIONAL THEORY STUDIES; DENSITY OF STATE; GENERALIZED GRADIENT APPROXIMATIONS; STABLE STRUCTURES; SURFACE BRIDGING; ULTRASOFT PSEUDOPOTENTIALS;

DENSITY FUNCTIONAL THEORY;

EID: 84919668846     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4903790     Document Type: Article

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