Formaldehyde on TiO2 anatase (1 0 1): A DFT study

Computational Materials Science

Volumn 51, Issue 1, 2012, Pages 389-395

  Liu, Huazhong ^a,b   Zhao, Mingtian ^a   Lei, Yinkai ^a   Pan, Chunxu ^a   Xiao, Wei ^a,c  

^a WUHAN UNIVERSITY   (China)

^b PLA Military Economics Academy ^*  (China)

^c Seoul National University   (South Korea)

Author keywords

Density functional calculations; Formaldehyde; Surfaces adsorption; Titanium dioxide

Indexed keywords

ANATASE TIO; CHEMICAL ADSORPTION; DFT STUDY; FIRST-PRINCIPLES CALCULATION; INTERFACE BONDS; PHYSICAL ADSORPTION; TIO;

ADSORPTION; MOLECULES; TITANIUM; TITANIUM DIOXIDE;

FORMALDEHYDE;

EID: 80052990789     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2011.07.048     Document Type: Article

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