A DFT study of CO adsorbed on clean and hydroxylated anatase TiO 2 (001) surfaces

Molecular Physics

Volumn 107, Issue 19, 2009, Pages 1997-2003

  Scaranto, Jessica ^a   Giorgianni, Santi ^a  

^a CA' FOSCARI UNIVERSITY OF VENICE   (Italy)

Author keywords

Adsorption; Anatase (001); Carbon monoxide; Density functional simulations; Hydroxyl group

Indexed keywords

ADSORBATE-SUBSTRATE INTERACTIONS; ANATASE (001); ANATASE TIO; BRIDGING OH GROUPS; CARBON ATOMS; CLEAN SURFACES; DENSITY FUNCTIONAL SIMULATIONS; DFT STUDY; HYDROXYL GROUP; HYDROXYLATED SURFACES; LATERAL-EFFECT; OXYGEN IONS; PERIODIC DFT CALCULATION; SURFACE COVERAGES; SURFACE OXYGEN; TITANIUM ION;

ADSORPTION; DENSITY FUNCTIONAL THEORY; HYDROXYLATION; OXYGEN; PROBABILITY DENSITY FUNCTION; SULFUR COMPOUNDS; TITANIUM; TITANIUM DIOXIDE; TITANIUM OXIDES;

CARBON MONOXIDE;

EID: 70349445355     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970903084961     Document Type: Article

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