Kinetics of Oxygen Surface Exchange on Epitaxial Ruddlesden–Popper Phases and Correlations to First-Principles Descriptors
Author(s)
Lee, Ho Nyung; Lee, Yueh Lin; Lee, Dongkyu; Wang, Xiao; Morgan, Dane; Shao-Horn, Yang; ... Show more Show less
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Through alignment of theoretical modeling with experimental measurements of oxygen surface exchange kinetics on (001)-oriented La[subscript 2–x]Sr[subscript x]MO[subscript 4+δ] (M = Co, Ni, Cu) thin films, we demonstrate here the capability of the theoretical bulk O 2p-band centers to correlate with oxygen surface-exchange kinetics of the Ruddlesden–Popper oxide (RP[subscript 214]) (001)-oriented thin films. In addition, we demonstrate that the bulk O 2p-band centers can also correlate with the experimental activation energies for bulk oxygen transport and oxygen surface exchange of both the RP[subscript 214] and the perovskite polycrystalline materials reported in the literature, indicating the effectiveness of the bulk O 2p-band centers in describing the associated energetics and kinetics. We propose that the opposite slopes of the bulk O 2p-band center correlations between the RP[subscript 214] and the perovskite materials are due to the intrinsic mechanistic differences of their oxygen surface exchange kinetics and bulk anionic transport.
Date issued
2015-12Department
Massachusetts Institute of Technology. Department of Materials Science and Engineering; Massachusetts Institute of Technology. Department of Mechanical Engineering; Massachusetts Institute of Technology. Electrochemical Energy Laboratory; Massachusetts Institute of Technology. Research Laboratory of ElectronicsJournal
The Journal of Physical Chemistry Letters
Publisher
American Chemical Society (ACS)
Citation
Lee, Yueh-Lin, Dongkyu Lee, Xiao Renshaw Wang, Ho Nyung Lee, Dane Morgan, and Yang Shao-Horn. “Kinetics of Oxygen Surface Exchange on Epitaxial Ruddlesden–Popper Phases and Correlations to First-Principles Descriptors.” The Journal of Physical Chemistry Letters 7, no. 2 (January 21, 2016): 244–249.
Version: Author's final manuscript
ISSN
1948-7185