Oxygen incorporation reaction into mixed conducting perovskites: A mechanistic analysis for (La,Sr)MnO3 based on DFT calculations

ECS Transactions

Volumn 25, Issue 2 PART 3, 2009, Pages 2753-2760

  Merkle, Rotraut ^a   Mastrikov, Yuri A ^b,c   Heifets, Eugene ^a,b   Kotomin, Eugene A ^a,b   Kukla, Maija ^c   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

DFT CALCULATION; HYPOTHETICAL MECHANISM; MECHANISTIC ANALYSIS; OXYGEN INCORPORATION; RATE DETERMINING STEP; SURFACE OXYGEN VACANCIES; TRANSITION STATE;

MANGANESE OXIDE; MOLECULAR OXYGEN; PEROVSKITE; PROBABILITY DENSITY FUNCTION; REACTION RATES; SOLID OXIDE FUEL CELLS (SOFC); SULFUR COMPOUNDS;

OXYGEN VACANCIES;

EID: 77649096656     PISSN: 19385862     EISSN: 19386737     Source Type: Conference Proceeding    
DOI: 10.1149/1.3205836     Document Type: Conference Paper

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