Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/148438
Title: The interplay between the suprafacial and intrafacial mechanisms for complete methane oxidation on substituted LaCoO3 perovskite oxides
Authors: Wang, Ting
Zhang, Chao
Wang, Jieyu
Li, Haiyan
Duan, Yan
Liu, Zheng
Lee, Jun Yan
Hu, Xiao
Xi, Shibo
Du, Yonghua
Sun, Shengnan
Liu, Xianhu
Lee, Jong-Min
Wang, Chuan
Xu, Zhichuan Jason
Keywords: Science::Chemistry::Physical chemistry::Catalysis
Issue Date: 2020
Source: Wang, T., Zhang, C., Wang, J., Li, H., Duan, Y., Liu, Z., Lee, J. Y., Hu, X., Xi, S., Du, Y., Sun, S., Liu, X., Lee, J., Wang, C. & Xu, Z. J. (2020). The interplay between the suprafacial and intrafacial mechanisms for complete methane oxidation on substituted LaCoO3 perovskite oxides. Journal of Catalysis, 390, 1-11. https://dx.doi.org/10.1016/j.jcat.2020.07.007
Journal: Journal of Catalysis
Abstract: The rational design of efficient catalysts can be guided by identifying proper descriptors that can rationalize and predict the catalytic behaviors. This study presents the feasibility of using the relative position between O p-band center and B-site metal cation d-band center as an activity descriptor for methane oxidation over LaCoO3 perovskite oxides. Experiments on B-site substituted LaFexCo1-xO3 perovskite oxides revealed that the relative positions between the two band centers governed the catalytic comportment. The suprafacial model-driven catalysts with negative relative position values exhibited exceeding activity at low temperatures; Inversely, the intrafacial model-driven catalysts with positive relative position values, showed superior activity at high temperatures. These findings were found to be effective on the A-site substituted La1-xSrxCoO3 perovskite oxides for catalytic performance prediction. This work hence showcases a promising principle to design highly active perovskite catalysts suitable for oxidation reactions.
URI: https://hdl.handle.net/10356/148438
ISSN: 1090-2694
DOI: 10.1016/j.jcat.2020.07.007
Rights: © 2020 Elsevier Inc. All rights reserved. This paper was published in Journal of Catalysis and is made available with permission of Elsevier Inc.
Fulltext Permission: embargo_20221031
Fulltext Availability: With Fulltext
Appears in Collections:MSE Journal Articles

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