Atomic and electronic structure of unreduced and reduced CeO2 surfaces: A first-principles study

Journal of Chemical Physics

Volumn 120, Issue 16, 2004, Pages 7741-7749

  Yang, Zongxian ^a   Woo, Tom K ^a   Baudin, Micael ^b   Hermansson, Kersti ^b  

^a UNIVERSITY OF WESTERN ONTARIO   (Canada)

^b UPPSALA UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CATALYST ACTIVITY; COMPUTATIONAL METHODS; ELASTIC MODULI; ELECTRONIC STRUCTURE; LATTICE CONSTANTS; LOW ENERGY ELECTRON DIFFRACTION; OXYGEN; PROBABILITY DENSITY FUNCTION; STOICHIOMETRY; SURFACE TREATMENT; X RAY PHOTOELECTRON SPECTROSCOPY;

GENERALIZED GRADIENT APPROXIMATION (GGA); LOCAL DENSITY APPROXIMATION (LDA); OXYGEN VACANCIES; THREE-WAY CATALYSTS (TWC);

CERIUM COMPOUNDS;

EID: 2342570944     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1688316     Document Type: Article

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