DFT study of difference caused by catalyst supports in Pt and Pd catalysis of oxygen reduction reaction

Science in China, Series B: Chemistry

Volumn 52, Issue 5, 2009, Pages 571-578

  Li, Li ^a,b   Wei, Zidong ^a   Zhang, Yi ^a   Qi, Xueqiang ^a   Xia, Meirong ^a   Zhang, Jie ^a   Shao, Zhigang ^c   Sun, Caixin ^a  

^a CHONGQING UNIVERSITY   (China)

^b CHINA WEST NORMAL UNIVERSITY   (China)

^c DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

Author keywords

Carbon; Catalyst support interaction; Density function theory (DFT); Electrocatalysis; Oxygen reduction reaction (ORR); TiO2

Indexed keywords

ADSORPTION STRENGTH; ATOMIC OXYGEN; CATALYST SURFACES; CATALYTIC ACTIVITY; DENSITY FUNCTION THEORY; DENSITY FUNCTION THEORY (DFT); DFT STUDY; ELECTRIC CONDUCTION; ELECTRON TRANSFER; ENERGY DIFFERENCES; METALLIC CATALYSTS; MINIMUM ENERGY; NET CHARGES; ORBITAL OVERLAP; ORBITAL SYMMETRIES; OXYGEN REDUCTION REACTION; OXYGEN REDUCTION REACTION (ORR); PARTIAL DENSITY OF STATE; PD CATALYST; PD PARTICLE; POSITIVE EFFECTS; SPACE SIZE; STRONG INTERACTION; SUPPORTED PT; TIO; TIO2; WEAK ADSORPTION;

DENSITY FUNCTIONAL THEORY; ELECTROCATALYSIS; ELECTROLYTIC REDUCTION; ELECTRON TRANSITIONS; GAS ADSORPTION; OXYGEN; PALLADIUM; PLATINUM; PROBABILITY DENSITY FUNCTION;

CATALYST SUPPORTS;

EID: 65849420371     PISSN: 10069291     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11426-009-0006-2     Document Type: Article

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