DFT calculations for the heterojunction effect between metal clusters and the stabilizer molecules

International Journal of Quantum Chemistry

Volumn 110, Issue 15, 2010, Pages 2903-2911

  Okumura, Mitsutaka ^a,b   Kitagawa, Yasutaka ^a   Kawakami, Takashi ^a  

^a OSAKA UNIVERSITY   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

Au catalyst; Charge transfer interaction; Density functional theory; Heterojunction effect; Precious metal cluster

Indexed keywords

ACTIVE SITE; AU CATALYSTS; CATALYTIC ACTIVITY; CATALYTIC REACTIONS; CHARGE TRANSFER INTERACTION; DENSITY FUNCTIONALS; DFT CALCULATION; HETEROGENEOUS CATALYST; HYBRID DENSITY FUNCTIONAL THEORY; LIQUID PHASE; METAL CLUSTER; METAL OXIDES; POLYMER STABILIZED;

CATALYSIS; CATALYST ACTIVITY; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; ELECTROCHEMICAL SENSORS; FUNCTIONAL POLYMERS; HETEROJUNCTIONS; ION EXCHANGE; MASS TRANSFER; METALLIC COMPOUNDS; METALS; POLYMERS; PRECIOUS METALS; SULFUR COMPOUNDS;

CATALYST SUPPORTS;

EID: 77958092783     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22838     Document Type: Conference Paper

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