The interplay between the suprafacial and intrafacial mechanisms for complete methane oxidation on substituted LaCoO3 perovskite oxides

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 descrip...

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Main 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
Other Authors: School of Materials Science and Engineering
Format: Article
Language:English
Published: 2021
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Online Access:https://hdl.handle.net/10356/148438
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Institution: Nanyang Technological University
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spelling sg-ntu-dr.10356-1484382023-07-14T16:02:01Z The interplay between the suprafacial and intrafacial mechanisms for complete methane oxidation on substituted LaCoO3 perovskite oxides 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 School of Materials Science and Engineering School of Chemical and Biomedical Engineering Nanyang Environment and Water Research Institute Science::Chemistry::Physical chemistry::Catalysis Methane Complete Oxidation Mechanistic Pathways 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. Ministry of Education (MOE) Ministry of National Development (MND) National Environmental Agency (NEA) National Research Foundation (NRF) Accepted version This work is supported by the National Research Foundation, Prime Minister’s Office, Singapore, the Ministry of National Development, Singapore, and National Environment Agency, Ministry of the Environment and Water Resource, Singapore under the Closing the Waste Loop R&D Initiative as part of the Urban Solutions & Sustainability – Integration Fund (Award No. USS-IF-2019-4), and Singapore Ministry of Education [Tier 1, Grant number RG3/18(S); Tier 2, Grant number MOE2018-T2-2-027]. Authors thank the support from Environmental Chemistry and Materials Centre (ECMC) under Nanyang Environment and Water Research Institute (NEWRI), as well as the Sustainable Earth (SE) division of the Nanyang Technological University’s Interdisciplinary Graduate School (IGS). Technical supports from the Facility for Analysis, Characterization, Testing and Simulation (FACTS) in Nanyang Technological University for materials characterizations are acknowledged. Authors also appreciate the financial support from the Nanjing Tech University Research Start-up Fund [grant number 38274017111], and 111 Project (D18023). 2021-05-05T02:02:04Z 2021-05-05T02:02:04Z 2020 Journal Article 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 1090-2694 https://hdl.handle.net/10356/148438 10.1016/j.jcat.2020.07.007 390 1 11 en Journal of Catalysis © 2020 Elsevier Inc. All rights reserved. This paper was published in Journal of Catalysis and is made available with permission of Elsevier Inc. application/pdf
institution Nanyang Technological University
building NTU Library
continent Asia
country Singapore
Singapore
content_provider NTU Library
collection DR-NTU
language English
topic Science::Chemistry::Physical chemistry::Catalysis
Methane Complete Oxidation
Mechanistic Pathways
spellingShingle Science::Chemistry::Physical chemistry::Catalysis
Methane Complete Oxidation
Mechanistic Pathways
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
The interplay between the suprafacial and intrafacial mechanisms for complete methane oxidation on substituted LaCoO3 perovskite oxides
description 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.
author2 School of Materials Science and Engineering
author_facet School of Materials Science and Engineering
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
format Article
author 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
author_sort Wang, Ting
title The interplay between the suprafacial and intrafacial mechanisms for complete methane oxidation on substituted LaCoO3 perovskite oxides
title_short The interplay between the suprafacial and intrafacial mechanisms for complete methane oxidation on substituted LaCoO3 perovskite oxides
title_full The interplay between the suprafacial and intrafacial mechanisms for complete methane oxidation on substituted LaCoO3 perovskite oxides
title_fullStr The interplay between the suprafacial and intrafacial mechanisms for complete methane oxidation on substituted LaCoO3 perovskite oxides
title_full_unstemmed The interplay between the suprafacial and intrafacial mechanisms for complete methane oxidation on substituted LaCoO3 perovskite oxides
title_sort interplay between the suprafacial and intrafacial mechanisms for complete methane oxidation on substituted lacoo3 perovskite oxides
publishDate 2021
url https://hdl.handle.net/10356/148438
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