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Royal Society of Chemistry, Physical Chemistry Chemical Physics, 45(20), p. 28685-28698, 2018

DOI: 10.1039/c8cp02137f

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Ab initio investigation of O2 adsorption on Ca-doped LaMnO3 cathodes in solid oxide fuel cells

Journal article published in 2018 by Albert Aniagyei ORCID, Nelson Y. Dzade ORCID, Richard Tia ORCID, Evans Adei, C. R. A. Catlow, Nora H. de Leeuw ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

We present a Hubbard-corrected density functional theory (DFT+U) study of the adsorption and reduction reactions of oxygen on the pure and 25% Ca-doped LaMnO3 (LCM25) {100} and {110} surfaces.