Adsorption of formic acid on rutile TiO2 (110) revisited: An infrared reflection-absorption spectroscopy and density functional theory study

Journal of Chemical Physics

Volumn 140, Issue 3, 2014, Pages

  Mattsson, A ^a   Hu, Shuanglin ^a   Hermansson, K ^a   Osterlund L ^a  

^a UPPSALA UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; ADSORPTION; FORMIC ACID; HIGH-K DIELECTRIC; OXIDE MINERALS; TITANIUM DIOXIDE;

ABSORPTION AND EMISSIONS; ADSORPTION GEOMETRIES; CATALYTIC APPLICATIONS; DENSITY FUNCTIONAL THEORY STUDIES; DFT + U CALCULATIONS; INFRARED REFLECTION ABSORPTION SPECTROSCOPY; SPIN-POLARIZED DENSITY FUNCTIONAL THEORY; THREE-LAYER MODELS;

DENSITY FUNCTIONAL THEORY;

EID: 84893285376     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4855176     Document Type: Article

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