Coadsorption properties of CO 2 and H 2O on TiO 2 rutile (110): A dispersion-corrected DFT study

Journal of Chemical Physics

Volumn 137, Issue 7, 2012, Pages

  Sorescu, Dan C ^a   Lee, Junseok ^a,b   Al Saidi, Wissam A ^c,d   Jordan, Kenneth D ^a,d  

^a NATIONAL ENERGY TECHNOLOGY LABORATORY   (United States)

^b URS   (United States)

^c PA 15260   (United States)

^d UNIVERSITY OF PITTSBURGH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORBED CO; ADSORBED WATER; ADSORPTION AND REACTIONS; ADSORPTION ENERGIES; BINDING CONFIGURATION; CARBONIC ACIDS; CO-ADSORPTION; DFT STUDY; OH GROUP; PROTON TRANSFER REACTIONS; TIO; WATER MOLECULE;

ADSORPTION; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; DISPERSIONS; HYDROGEN BONDS; MOLECULES; ORGANIC ACIDS; OXIDE MINERALS; SCANNING TUNNELING MICROSCOPY; TITANIUM DIOXIDE;

CARBON DIOXIDE;

EID: 84865469872     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4739088     Document Type: Article

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