Effects of Zr doping on stoichiometric and reduced ceria: A first-principles study

Journal of Chemical Physics

Volumn 124, Issue 22, 2006, Pages

  Yang, Zongxian ^a,b   Woo, Tom K ^b   Hermansson, Kersti ^c  

^a HENAN NORMAL UNIVERSITY   (China)

^b UNIVERSITY OF OTTAWA   (Canada)

^c UPPSALA UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

CERIUM COMPOUNDS; CHEMICAL MODIFICATION; CRYSTAL ATOMIC STRUCTURE; ELECTRONIC STRUCTURE; NEGATIVE IONS; POSITIVE IONS; PROBABILITY DENSITY FUNCTION; REDOX REACTIONS; REDUCTION; SEMICONDUCTOR DOPING; ZIRCONIUM;

COULOMB INTERACTIONS; OXYGEN ANIONS; REDUCTION ENERGIES; REDUCTION PROPERTIES;

STOICHIOMETRY;

EID: 33745137069     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2200354     Document Type: Article

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