Adsorption and dissociation of ammonia on clean and metal-covered TiO2 rutile (110) surfaces: A comparative DFT study

Applied Catalysis B: Environmental

Volumn 106, Issue 3-4, 2011, Pages 510-519

  Cheng, Daojian ^a   Lan, Jianhui ^b   Cao, Dapeng ^a   Wang, Wenchuan ^a  

^a BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY   (China)

^b INSTITUTE OF HIGH ENERGY PHYSICS   (China)

Author keywords

DFT calculation; Dissociation of ammonia; Platinum; Rutile TiO2

Indexed keywords

BRIDGING OXYGEN; DFT CALCULATION; DFT STUDY; FIVE-COORDINATED; PT ATOMS; REACTION PATHWAYS; RUTILE TIO; SURFACE ELECTRON; TIO; TRANSITION STATE;

ACTIVATION ENERGY; ADATOMS; ADSORPTION; AMMONIA; DENSITY FUNCTIONAL THEORY; DISSOCIATION; OXIDE MINERALS; PLATINUM; SURFACE STRUCTURE; TITANIUM;

TITANIUM DIOXIDE;

EID: 79960842464     PISSN: 09263373     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apcatb.2011.06.010     Document Type: Article

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