Pathways for oxygen incorporation in mixed conducting perovskites: A DFT-based Mechanistic analysis for (La, Sr)MnO3-δ

Journal of Physical Chemistry C

Volumn 114, Issue 7, 2010, Pages 3017-3027

  Mastrikov, Yuri A ^a,c   Merkle, Rotraut ^a   Heifets, Eugene ^b   Kotomin, Eugene A ^a,b   Maier, Joachim ^a  

^a MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG   (Germany)

^b UNIVERSITY OF LATVIA   (Latvia)

^c UNIVERSITY OF MARYLAND   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CATHODE MATERIALS; CUBIC UNIT CELLS; DFT CALCULATION; ELECTROSTATIC REPULSION; FUEL CELL OPERATION; HIGH TEMPERATURE; MECHANISTIC ANALYSIS; NEGATIVE ADSORPTION; OXYGEN INCORPORATION; REACTION MECHANISM; STABLE SURFACES; SURFACE OXYGEN VACANCIES;

ADSORBATES; ADSORPTION; CATHODES; CHEMISORPTION; FUEL CELLS; MANGANESE; MANGANESE OXIDE; MOLECULAR OXYGEN; PEROVSKITE; POINT DEFECTS; PROBABILITY DENSITY FUNCTION; REACTION RATES; SULFUR COMPOUNDS; SURFACES;

OXYGEN VACANCIES;

EID: 77649092366     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp909401g     Document Type: Article

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