Atomistic calculation of association energy in doped ceria

Solid State Ionics

Volumn 180, Issue 1, 2009, Pages 13-17

  Wei, Xi ^a   Pan, Wei ^a   Cheng, Laifei ^b   Li, Bin ^a  

^a TSINGHUA UNIVERSITY   (China)

^b NORTHWESTERN POLYTECHNICAL UNIVERSITY   (China)

Author keywords

Association energy; Atomistic simulation; Defect associate; Doped CeO2; Ionic conductivity

Indexed keywords

CERIUM; CERIUM COMPOUNDS; DEFECTS; DOPING (ADDITIVES); ELECTRIC CONDUCTIVITY; ERBIUM; EUROPIUM; GADOLINIUM; IONIC CONDUCTION; IONIC CONDUCTIVITY; IONS; LUTETIUM; POSITIVE IONS; VACANCIES; YTTERBIUM;

ASSOCIATION ENERGY; ATOMISTIC CALCULATIONS; ATOMISTIC SIMULATION; DEFECT ASSOCIATE; DOPANT ASSOCIATIONS; DOPANT CATIONS; DOPED CEO2; DOPED CERIAS; ENERGY MINIMIZATION TECHNIQUES; EXAFS; TRIVALENT CATIONS;

DEFECT STRUCTURES;

EID: 58949088474     PISSN: 01672738     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssi.2008.10.019     Document Type: Article

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