Kinetics of Oxygen Surface Exchange on Epitaxial Ruddlesden-Popper Phases and Correlations to First-Principles Descriptors

被引：56
作者：
Lee, Yueh-Lin [1 ]
Lee, Dongkyu [1 ,2 ]
Wang, Xiao Renshaw [1 ]
Lee, Ho Nyung [2 ]
Morgan, Dane [3 ]
Shao-Horn, Yang [1 ]
机构：
[1] MIT, Electrochem Energy Lab, 77 Massachusetts Ave, Cambridge, MA 02139 USA
[2] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA
[3] Univ Wisconsin, Dept Mat Sci & Engn, 1509 Univ Ave, Madison, WI 53706 USA
来源：
JOURNAL OF PHYSICAL CHEMISTRY LETTERS | 2016年 / 7卷 / 02期
关键词：
TRANSPORT-PROPERTIES; DIFFUSION PROPERTIES; TRACER DIFFUSION; THIN-FILMS; REDUCTION;
D O I：
10.1021/acs.jpclett.5b02423
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Through alignment of theoretical modeling with experimental measurements of oxygen surface exchange kinetics on (001)-oriented La2-xSrxM4+delta (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 (RP214) (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 RP214 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 RP214 and the perovskite materials are due to the intrinsic mechanistic differences of their oxygen surface exchange kinetics and bulk anionic transport.
引用
收藏
页码：244 / 249
页数：6
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