Kinetics of Oxygen Surface Exchange on Epitaxial Ruddlesden–Popper Phases and Correlations to First-Principles Descriptors
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Author(s)
Lee, Ho Nyung
Lee, Yueh Lin
Lee, Dongkyu
Wang, Xiao
Morgan, Dane
Shao-Horn, Yang
Date Issued
December 2015
Journal
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.
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Author's final manuscript
Abstract
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.
MIT Department
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 Electronics
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DOI of Published Version
https://doi.org/10.1021/acs.jpclett.5b02423
