Adsorption of CO, H2, N2O, NH3 and CH 4 on the anatase TiO2 (0 0 1) and (1 0 1) surfaces and their competitive adsorption predicted by periodic DFT calculations

Materials Chemistry and Physics

Volumn 124, Issue 1, 2010, Pages 720-725

  Wanbayor, Raina ^a   Ruangpornvisuti, Vithaya ^a  

^a CHULALONGKORN UNIVERSITY   (Thailand)

Author keywords

Adsorption abilities of gases; Anatase TiO2 (0 0 1) and (1 0 1) surfaces; Co adsorption; Periodic DFT

Indexed keywords

ADSORPTION ABILITIES OF GASES; ADSORPTION ENERGIES; ANATASE TIO; CO-ADSORPTION; COMPETITIVE ADSORPTION; DFT CALCULATION; OPTIMIZATION MODELS; PERIODIC DFT; PERIODIC DFT CALCULATION; SLAB MODEL; TIO;

GASES; TITANIUM DIOXIDE;

ADSORPTION;

EID: 77957245873     PISSN: 02540584     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.matchemphys.2010.07.043     Document Type: Article

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