Structural disorder in doped zirconias, part II: Vacancy ordering effects and the conductivity maximum

Chemistry of Materials

Volumn 23, Issue 6, 2011, Pages 1365-1373

  Marrocchelli, Dario ^a,e   Madden, Paul A ^b   Norberg, Stefan T ^c,d   Hull, Stephen ^d  

^a UNIVERSITY OF EDINBURGH   (United Kingdom)

^b UNIVERSITY OF OXFORD   (United Kingdom)

^c CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

^d RUTHERFORD APPLETON LABORATORY   (United Kingdom)

^e MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

inorganic solids and ceramics; ionic conductors; solid oxide fuel cells; theory and modeling

Indexed keywords

AB-INITIO ELECTRONIC STRUCTURE CALCULATIONS; CATION INTERACTIONS; CONDUCTION MECHANISM; DOPANT CATION; DOPANT CONCENTRATIONS; DOPED ZIRCONIA; INORGANIC SOLIDS; INTERACTION POTENTIALS; INTRINSIC CHARACTERISTICS; IONIC CONDUCTORS; MOLECULAR DYNAMICS SIMULATIONS; STRUCTURAL DISORDERS; THEORY AND MODELING; VACANCY ORDERING;

CALCULATIONS; CERAMIC MATERIALS; DOPING (ADDITIVES); ELECTRONIC STRUCTURE; IONIC CONDUCTIVITY; MOLECULAR DYNAMICS; POSITIVE IONS; SCANDIUM; SOLID OXIDE FUEL CELLS (SOFC); ZIRCONIA; ZIRCONIUM;

IONIC CONDUCTION IN SOLIDS;

EID: 79952755588     PISSN: 08974756     EISSN: 15205002     Source Type: Journal    
DOI: 10.1021/cm102809t     Document Type: Article

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