Protonic defects in pure and doped La2Zr2O7 pyrochlore oxide

Solid State Ionics

Volumn 178, Issue 31-32, 2008, Pages 1642-1647

  Björketun, Mårten E ^a,c   Knee, Christopher S ^b   Nyman, B Joakim ^a   Wahnström, Göran ^a  

^a CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

^b UNIVERSITY OF GOTHENBURG   (Sweden)

^c TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

Author keywords

Defect clusters; DFT; First principles calculations; La2Zr2O7; Point defects; Proton conductors; Pyrochlore oxides

Indexed keywords

DENSITY FUNCTIONAL THEORY; LANTHANUM COMPOUNDS; NUMERICAL METHODS; POINT DEFECTS; PROTON CONDUCTIVITY; STOICHIOMETRY;

DEFECT CLUSTERS; FIRST PRINCIPLES CALCULATIONS; PROTON CONDUCTORS; PYROCHLORE OXIDES;

OXIDES;

EID: 36849052018     PISSN: 01672738     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssi.2007.10.014     Document Type: Article

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