Molecular dynamics simulation on ionic conduction process of oxygen in Ce1-xMxO2-x/2

Journal of the European Ceramic Society

Volumn 31, Issue 16, 2011, Pages 3159-3169

  Huang, C W ^a   Wei, W C J ^a   Chen, C S ^b   Chen, J C ^c  

^a NATIONAL TAIWAN UNIVERSITY   (Taiwan)

^b NATIONAL TAIWAN UNIVERSITY   (Taiwan)

^c INSTITUTE OF ATOMIC AND MOLECULAR SCIENCES   (Taiwan)

Author keywords

Ceria; Dopant; Ionic conduction; Molecular dynamics; Vacancy trapping

Indexed keywords

AB INITIO CALCULATIONS; BLOCKING EFFECT; BLOCKING MECHANISMS; COMBINED EFFECT; CONDUCTION PROCESS; DOPANT; DOPANT CATION; EQUILIBRIUM PROPERTIES; HEAVILY DOPED; INTERATOMIC POTENTIAL PARAMETERS; IONIC RADIUS; MOLECULAR DYNAMICS SIMULATIONS; TRIVALENT CATIONS; VACANCY TRAPPING; Y-DOPED;

CALCULATIONS; CERIUM COMPOUNDS; DOPING (ADDITIVES); DYNAMICS; GADOLINIUM; IONIC CONDUCTION; IONIC CONDUCTIVITY; MOLECULAR MECHANICS; MOLECULAR OXYGEN; POSITIVE IONS;

MOLECULAR DYNAMICS;

EID: 80053443681     PISSN: 09552219     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jeurceramsoc.2011.05.029     Document Type: Article

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