Ag-mediated charge transfer from electron-doped SrTiO3 to CO and NO: A first-principles study

Surface Science

Volumn 605, Issue 13-14, 2011, Pages 1331-1335

  Wei, Wei ^a   Dai, Ying ^a   Guo, Meng ^a   Niu, Chengwang ^a   Huang, Baibiao ^a  

^a SHANDONG UNIVERSITY   (China)

Author keywords

Ag mediated charge transfer; DFT calculation; SrTiO3 (001) surface

Indexed keywords

ACTIVE REDUCTION; AG ATOMS; AG-MEDIATED CHARGE TRANSFER; CO AND NO; DEPOSITED METAL; DFT CALCULATION; ELECTRON HOLE PAIRS; ELECTRON-DOPED; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; FUKUI FUNCTIONS; INTERFACIAL CHARGE TRANSFER; MOLECULAR BONDS; SRTIO; SURFACE WORK FUNCTIONS; TARGET SPECIES;

CALCULATIONS; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; ELECTRONS; ION EXCHANGE; MOLECULES; SEMICONDUCTOR DOPING; STRONTIUM ALLOYS; STRONTIUM TITANATES;

SILVER;

EID: 79957846146     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2011.04.033     Document Type: Article

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