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The role of nonmetallic ion substitution in perovskite LaCoO3 for improved oxygen evolution reaction activity
Abstract
Transition metal perovskite (ABO3) is an emerging type of oxygen evolution reaction (OER) electrocatalyst that shows reasonably good activity and moderate stability. Although efforts have been made to improve perovskite’ OER performance by various element substitution at A/B-site, the influence of ion, particularly non-metallic ion, substitutions on the OER mechanism are rarely studied. More and more evidence has shown that the metal-center theory has failed to explain lots of OER-related phenomena. Therefore, it is urgent to understand how the cation and anion sites in perovskite determine OER performance. Here, we used a Fe and P co-doped LaCoO3 as a model system to explore the influence of substitution in perovskite by combinng operando/ex-situ X-ray characterization and density functional theroy (DFT). Here, we observed enhanced OER catalytic activities in co-doped materials, which are attributed to the stronger transition-metal-oxygen-bonding-covalency (TMOBC). The detailed analyses by O K-edge XAS, electrochemical performance, and DFT suggest that the hybridization between O 2p and transition metal 3d eg orbitals could be a more credible descriptor of perovskite for OER, which is the combination of eg orbital theory and TMOBC theory. The finding in our work provides insights into the OER catalysis mechanism on metal oxides, which could guidemore »
- Authors:
-
[1];
[2];
[2];
[2];
[2];
[4];
[2]
- Oregon State Univ., Corvallis, OR (United States); Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
- Oregon State Univ., Corvallis, OR (United States)
- Oregon State Univ., Corvallis, OR (United States); Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
- Univ. of Louisiana, Lafayette, LA (United States)
- Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)
- Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
- Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
- Publication Date:
- Research Org.:
- Pacific Northwest National Laboratory (PNNL), Richland, WA (United States); Argonne National Laboratory (ANL), Argonne, IL (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF); National Science Foundation (NSF)
- OSTI Identifier:
- 2202564
- Report Number(s):
- PNNL-SA-181111
Journal ID: ISSN 0013-4686
- Grant/Contract Number:
- AC05-76RL01830; AC02-06CH11357; AC02-05CH11231; CBET-1949870; CBET-2016192; CBET-2151049; DMR1832803; CHE-1665287; CBET 2223447; NNCI-2025489; ACI-1053575
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Electrochimica Acta
- Additional Journal Information:
- Journal Volume: 466; Journal ID: ISSN 0013-4686
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 25 ENERGY STORAGE; oxygen evolution reaction; electronic structure; property descriptor; in-situ; x-ray absorption spectroscopy
Citation Formats
Wang, Maoyu, Chukwu, Kingsley Chukwuma, Muhich, Brian A., Samarakoon, Widitha S., He, Zizhou, Lucero, Marcos, Chang, Chun-Wai, Chang, Alvin, Yang, Dongqi, Kaur, Sumandeep, N'Diaye, Alpha T., Sterbinsky, George E., Du, Yingge, Fei, Ling, Árnadóttir, Líney, and Feng, Zhenxing. The role of nonmetallic ion substitution in perovskite LaCoO3 for improved oxygen evolution reaction activity. United States: N. p., 2023.
Web. doi:10.1016/j.electacta.2023.143034.
Wang, Maoyu, Chukwu, Kingsley Chukwuma, Muhich, Brian A., Samarakoon, Widitha S., He, Zizhou, Lucero, Marcos, Chang, Chun-Wai, Chang, Alvin, Yang, Dongqi, Kaur, Sumandeep, N'Diaye, Alpha T., Sterbinsky, George E., Du, Yingge, Fei, Ling, Árnadóttir, Líney, & Feng, Zhenxing. The role of nonmetallic ion substitution in perovskite LaCoO3 for improved oxygen evolution reaction activity. United States. https://doi.org/10.1016/j.electacta.2023.143034
Wang, Maoyu, Chukwu, Kingsley Chukwuma, Muhich, Brian A., Samarakoon, Widitha S., He, Zizhou, Lucero, Marcos, Chang, Chun-Wai, Chang, Alvin, Yang, Dongqi, Kaur, Sumandeep, N'Diaye, Alpha T., Sterbinsky, George E., Du, Yingge, Fei, Ling, Árnadóttir, Líney, and Feng, Zhenxing. Thu .
"The role of nonmetallic ion substitution in perovskite LaCoO3 for improved oxygen evolution reaction activity". United States. https://doi.org/10.1016/j.electacta.2023.143034.
@article{osti_2202564,
title = {The role of nonmetallic ion substitution in perovskite LaCoO3 for improved oxygen evolution reaction activity},
author = {Wang, Maoyu and Chukwu, Kingsley Chukwuma and Muhich, Brian A. and Samarakoon, Widitha S. and He, Zizhou and Lucero, Marcos and Chang, Chun-Wai and Chang, Alvin and Yang, Dongqi and Kaur, Sumandeep and N'Diaye, Alpha T. and Sterbinsky, George E. and Du, Yingge and Fei, Ling and Árnadóttir, Líney and Feng, Zhenxing},
abstractNote = {Transition metal perovskite (ABO3) is an emerging type of oxygen evolution reaction (OER) electrocatalyst that shows reasonably good activity and moderate stability. Although efforts have been made to improve perovskite’ OER performance by various element substitution at A/B-site, the influence of ion, particularly non-metallic ion, substitutions on the OER mechanism are rarely studied. More and more evidence has shown that the metal-center theory has failed to explain lots of OER-related phenomena. Therefore, it is urgent to understand how the cation and anion sites in perovskite determine OER performance. Here, we used a Fe and P co-doped LaCoO3 as a model system to explore the influence of substitution in perovskite by combinng operando/ex-situ X-ray characterization and density functional theroy (DFT). Here, we observed enhanced OER catalytic activities in co-doped materials, which are attributed to the stronger transition-metal-oxygen-bonding-covalency (TMOBC). The detailed analyses by O K-edge XAS, electrochemical performance, and DFT suggest that the hybridization between O 2p and transition metal 3d eg orbitals could be a more credible descriptor of perovskite for OER, which is the combination of eg orbital theory and TMOBC theory. The finding in our work provides insights into the OER catalysis mechanism on metal oxides, which could guide new design of cost-effective oxide electrocatalysts.},
doi = {10.1016/j.electacta.2023.143034},
journal = {Electrochimica Acta},
number = ,
volume = 466,
place = {United States},
year = {Thu Aug 17 00:00:00 EDT 2023},
month = {Thu Aug 17 00:00:00 EDT 2023}
}
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