Insights into the adsorption of CH2BrF on anatase TiO 2 (1 0 1) surface through DFT modelling

Computational Materials Science

Volumn 81, Issue , 2014, Pages 556-560

  Scaranto, Jessica ^a   Giorgianni, Santi ^a  

^a CA' FOSCARI UNIVERSITY OF VENICE   (Italy)

Author keywords

Adsorption energetics; Anatase TiO2 (1 0 1) surface; CH2BrF; Density functional theory; Interaction constants

Indexed keywords

ACID BASE INTERACTION; ADSORBATE-SUBSTRATE; ADSORPTION ENERGETICS; ANATASE TIO; CH2BRF; HETEROGENEOUS PHOTOCATALYSIS; INTERACTION CONSTANTS; STABLE CONFIGURATION;

ADSORPTION; BINDING ENERGY; DENSITY FUNCTIONAL THEORY; MOLECULES; MONTE CARLO METHODS; OZONE LAYER;

TITANIUM DIOXIDE;

EID: 84888287727     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2013.09.012     Document Type: Article

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