Understanding the interaction of water with anatase TiO2 (101) surface from density functional theory calculations

Physics Letters, Section A: General, Atomic and Solid State Physics

Volumn 375, Issue 32, 2011, Pages 2939-2945

  Zhao, Zongyan ^a   Li, Zhaosheng ^a   Zou, Zhigang ^a  

^a NANJING UNIVERSITY   (China)

Author keywords

Density functional theory calculation; Surface diffusion; Titanium dioxide surface; Water adsorption

Indexed keywords

ADSORPTION; CHEMICAL BONDS; MOLECULES; POTENTIAL ENERGY; QUANTUM CHEMISTRY; SURFACE DIFFUSION; TITANIUM DIOXIDE;

ADIABATIC POTENTIAL ENERGY SURFACE; DIFFUSION ENERGY BARRIERS; DIFFUSION OF WATER; DISSOCIATIVE ADSORPTION; INTERACTION POTENTIALS; MOLECULAR ADSORPTION; TITANIUM DIOXIDE SURFACES; WATER ADSORPTION;

DENSITY FUNCTIONAL THEORY;

EID: 79960111860     PISSN: 03759601     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physleta.2011.06.022     Document Type: Article

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