Computational study on the catalytic mechanism of oxygen reduction on La0.5Sr0.5MnO3 in solid oxide fuel cells

Angewandte Chemie - International Edition

Volumn 46, Issue 38, 2007, Pages 7214-7219

  Choi, YongMan ^a   Lin, M C ^b,c   Liu, Meilin ^a  

^a Georgia Institute of Technology   (United States)

^b EMORY UNIVERSITY   (United States)

^c NATIONAL CHIAO TUNG UNIVERSITY   (Taiwan)

Author keywords

Ab initio calculations; Fuel cells; Molecular dynamics; Reaction mechanisms; Reduction

Indexed keywords

CATALYST ACTIVITY; DIFFUSION; LANTHANUM COMPOUNDS; MOLECULAR DYNAMICS; OXYGEN; SOLID OXIDE FUEL CELLS (SOFC); YTTRIA STABILIZED ZIRCONIA;

QUANTUM CHEMICAL CALCULATIONS; REACTION MECHANISMS;

REDUCTION;

EID: 34948853924     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200700411     Document Type: Article

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