Oxygen (O2) reduction reaction on Ba-doped LaMnO3 cathodes in solid oxide fuel cells: a density functional theory study
Autor: | Albert Aniagyei, Caroline Kwawu, Ralph Kwakye, Boniface Yeboah Antwi, Jonathan Osei-Owusu |
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Jazyk: | angličtina |
Rok vydání: | 2021 |
Předmět: | |
Zdroj: | Materials for Renewable and Sustainable Energy, Vol 10, Iss 4, Pp 1-10 (2021) |
Druh dokumentu: | article |
ISSN: | 2194-1459 2194-1467 |
DOI: | 10.1007/s40243-021-00200-1 |
Popis: | Abstract The oxygen adsorption and subsequent reduction on the {100} and {110} surfaces of 25% Ba-doped LaMnO3 (LBM25) have been studied at the density functional theory (DFT) with Hubbard correction and the results compared with adsorption on 25% Ca-doped LaMnO3 (LCM25) and Sr-doped LaMnO3 (LSM25). The trend in the reduction energies at the Mn cation sites are predicted to be in the order LSM25 |
Databáze: | Directory of Open Access Journals |
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