Structure of δ-Bi2O3 from density functional theory: A systematic crystallographic analysis

Journal of Solid State Chemistry

Volumn 182, Issue 5, 2009, Pages 1222-1228

  Aidhy, Dilpuneet S ^a   Sinnott, Susan B ^a   Wachsman, Eric D ^a   Phillpot, Simon R ^a   Nino, Juan C ^a  

^a Department of Materials Science and Engineering ^*  (United States)

Author keywords

Crystallography; Density functional theory; Ordering of vacancies; SOFC electrolyte

Indexed keywords

CRYSTALLOGRAPHIC ANALYSIS; ELECTRONIC CHARGES; ELECTRONIC-STRUCTURE CALCULATIONS; IONIC DISPLACEMENTS; ORDERED STRUCTURES; ORDERING OF VACANCIES; OXYGEN SUBLATTICE; SOFC ELECTROLYTE; SPACE-GROUP SYMMETRIES; SUB LATTICES; SUPER STRUCTURES; UNIT CELLS; VACANCY ORDERINGS;

CRYSTALLOGRAPHY; ELECTROLYTES; MINERALOGY; OXYGEN; OXYGEN VACANCIES; SINGLE CRYSTALS; SOLID OXIDE FUEL CELLS (SOFC); VACANCIES;

DENSITY FUNCTIONAL THEORY;

EID: 65049089967     PISSN: 00224596     EISSN: 1095726X     Source Type: Journal    
DOI: 10.1016/j.jssc.2009.02.019     Document Type: Article

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