A comparative DFT study of adsorption and catalytic performance of Au nanoparticles at anatase and brookite TiO2 surfaces

Surface Science

Volumn 605, Issue 15-16, 2011, Pages 1369-1380

  Li, Wei Kun ^a   Chu, Li Na ^a   Gong, Xue Qing ^a   Lu, Guanzhong ^a  

^a RESEARCH INSTITUTE OF INDUSTRIAL CATALYSIS   (China)

Author keywords

Anatase; Brookite; CO oxidation; Density functional calculations; Gold catalysis; Titanium dioxide

Indexed keywords

2D STRUCTURES; ADSORPTION PROPERTIES; ANATASE TIO; AU NANOPARTICLE; BROOKITE; BROOKITE TIO; CATALYTIC PERFORMANCE; CO ADSORPTION; CO OXIDATION; DEFECT-FREE; DENSITY FUNCTIONAL THEORY CALCULATIONS; DENSITY-FUNCTIONAL CALCULATIONS; DFT STUDY; GOLD CATALYSIS; STRONG INTERACTION;

ADSORPTION; ATOMS; COORDINATION REACTIONS; DEFECT DENSITY; DEFECTS; DENSITY FUNCTIONAL THEORY; GOLD; NANOPARTICLES; OXIDATION; TITANIUM; TWO DIMENSIONAL;

TITANIUM DIOXIDE;

EID: 79959818546     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2011.04.032     Document Type: Article

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