Role of Ga 3+ and Cu 2+ in the high interstitial oxide-ion diffusivity of Pr 2NiO 4-based oxides: Design concept of interstitial ion conductors through the higher-valence d 10 dopant and Jahn-Teller effect

Chemistry of Materials

Volumn 24, Issue 21, 2012, Pages 4100-4113

  Yashima, Masatomo ^a   Yamada, Hiroki ^a   Nuansaeng, Sirikanda ^b   Ishihara, Tatsumi ^b  

^a TOKYO INSTITUTE OF TECHNOLOGY   (Japan)

^b KYUSHU UNIVERSITY   (Japan)

Author keywords

ab initio; K 2NiF 4 type metal oxides; neutron diffraction; nuclear density analysis; oxygen diffusion

Indexed keywords

AB INITIO; ATOMIC DISPLACEMENT; COORDINATION NUMBER; DESIGN CONCEPT; DIFFUSION MECHANISMS; FORMATION ENERGIES; HIGH TEMPERATURE; INTERSTITIAL OXYGEN; ION CONDUCTORS; JAHN-TELLER; LOCAL RELAXATION; METAL OXIDES; MICROSCOPIC PARAMETER; NUCLEAR DENSITIES; NUCLEAR-DENSITY DISTRIBUTION; OXIDE IONS; OXIDE-ION DIFFUSION; OXYGEN ATOM; OXYGEN DEFICIENT; OXYGEN DIFFUSION; OXYGEN DIFFUSIVITY; OXYGEN PERMEATION; PROBABILITY DENSITIES; ROOM TEMPERATURE;

ACTIVATION ENERGY; ATOMS; CARRIER CONCENTRATION; DIFFUSION IN GASES; ELECTRONIC STRUCTURE; IONS; JAHN-TELLER EFFECT; NEUTRON DIFFRACTION; OXYGEN PERMEABLE MEMBRANES; THERMAL LOGGING;

OXYGEN;

EID: 84869016845     PISSN: 08974756     EISSN: 15205002     Source Type: Journal    
DOI: 10.1021/cm3021287     Document Type: Article

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