Electronic states of metal (Cu, Ag, Au) atom on CeO2(1 1 1) surface: The role of local structural distortion

Journal of Power Sources

Volumn 197, Issue , 2012, Pages 28-37

  Tang, Yuanhao ^a,b   Zhang, Hua ^a   Cui, Lixia ^a   Ouyang, Chuying ^c   Shi, Siqi ^a,b   Tang, Weihua ^a   Li, Hong ^b   Chen, Liquan ^b  

^a ZHEJIANG SCI TECH UNIVERSITY   (China)

^b INSTITUTE OF PHYSICS   (China)

^c JIANGXI NORMAL UNIVERSITY   (China)

Author keywords

Ceria surface; Electronic states; First principles calculations; Metal atom adsorption; Structural distortion

Indexed keywords

ADSORPTION ENERGIES; ADSORPTION INTERACTIONS; ADSORPTION SITE; AU ADSORPTION; CHARGE REDISTRIBUTION; CU ATOMS; DENSITY-FUNCTIONAL THEORY CALCULATIONS; ELECTRON CHARGE TRANSFER; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; METAL ATOM ADSORPTION; METAL ATOMS; NEUTRAL METALS; STRUCTURAL CONFIGURATIONS; STRUCTURAL DISTORTIONS; VALENCE STATE;

ADSORPTION; CALCULATIONS; CERIUM; CERIUM COMPOUNDS; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; ELECTRONIC STATES; ELECTRONS; ION EXCHANGE; METALS; POSITIVE IONS; SILVER;

ATOMS;

EID: 80054800317     PISSN: 03787753     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpowsour.2011.09.026     Document Type: Article

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