Open AccessEnhancing Oxygen Exchange Activity by Tailoring Perovskite Surfaces
Author(s) -
Yuan Cheng,
Abhinav S. Raman,
Julian M. Paige,
Liang Zhang,
Danyi Sun,
Mavis U. Chen,
Aleksandra Vojvodić,
Raymond J. Gorte,
John M. Vohs
Publication year - 2019
Publication title -
the journal of physical chemistry letters
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.563
H-Index - 203
ISSN - 1948-7185
DOI - 10.1021/acs.jpclett.9b01235
Subject(s) - perovskite (structure) , materials science , cathode , density functional theory , electrochemistry , oxygen , oxygen reduction reaction , ceramic , chemical engineering , doping , nanotechnology , inorganic chemistry , chemistry , electrode , composite material , optoelectronics , computational chemistry , organic chemistry , engineering
A detailed understanding of the effects of surface chemical and geometric composition is essential for understanding the electrochemical performance of the perovskite (ABO 3 ) oxides commonly used as electrocatalysts in the cathodes of ceramic fuel cells. Herein, we report how the addition of submonolayer quantities of A- and B-site cations affects the rate of the oxygen reduction reaction (ORR) of Sr-doped LaFeO 3 (LSF), LaMnO 3 (LSM), and LaCoO 3 (LSCo). Density functional theory calculations were performed to determine the stability of different active sites on a collection of surfaces. With LSF and LSM, rates for the ORR are significantly higher on the A-site terminated surface, while surface termination is less important for LSCo. Our findings highlight the importance of tailoring the surface termination of the perovskite to obtain its ultimate ORR performance.
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