From composites to solid solutions: Modeling of ionic conductivity in the CaF 2-BaF 2 system

Chemistry - A European Journal

Volumn 18, Issue 20, 2012, Pages 6225-6229

  Zahn, Dirk ^a   Heitjans, Paul ^b   Maier, Joachim ^c  

^a UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

^b LEIBNIZ UNIVERSITY HANNOVER   (Germany)

^c MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG   (Germany)

Author keywords

charge transfer; doping; interfaces; ion conductors; molecular modeling

Indexed keywords

CONCENTRATION EFFECTS; DOPING EFFECTS; FRENKEL REACTIONS; HETERO INTERFACES; HIGHER-DIMENSIONAL; HOMOGENEOUS DOPING; INTERSTITIAL SITES; ION CONDUCTORS; SIZE MISMATCH; TEST MATERIALS; VACANCY FORMATION; ZERO-DIMENSIONAL;

BARIUM; BARIUM COMPOUNDS; CALCIUM; CHARGE TRANSFER; DOPING (ADDITIVES); FLUORSPAR; INTERFACES (MATERIALS); IONIC CONDUCTIVITY; MOLECULAR MODELING; SOLID SOLUTIONS;

SEMICONDUCTOR DOPING;

EID: 84860740485     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201102410     Document Type: Article

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