The role of nonmetallic ion substitution in perovskite LaCoO3 for improved oxygen evolution reaction activity

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

doi:10.1016/j.electacta.2023.143034

Title: The role of nonmetallic ion substitution in perovskite LaCoO₃ for improved oxygen evolution reaction activity

Journal Article · Thu Aug 17 00:00:00 EDT 2023 · Electrochimica Acta

DOI:https://doi.org/10.1016/j.electacta.2023.143034· OSTI ID:2202564

^[1];

^[2]; Muhich, Brian A. ^[2]; Samarakoon, Widitha S. ^[3]; He, Zizhou ^[4]; Lucero, Marcos ^[2];

^[2];

^[2]; Yang, Dongqi ^[2];

^[2]; N'Diaye, Alpha T. ^[5]; Sterbinsky, George E. ^[6]; Du, Yingge ^[7];

^[4]; Árnadóttir, Líney ^[2];

^[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)

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 e_g orbitals could be a more credible descriptor of perovskite for OER, which is the combination of e_g 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.

This content will become publicly available on Sat Aug 17 00:00:00 EDT 2024

Cite

Export

Save

Research Organization:: 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 Organization:: 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)

Grant/Contract Number:: AC05-76RL01830; AC02-06CH11357; AC02-05CH11231; CBET-1949870; CBET-2016192; CBET-2151049; DMR1832803; CHE-1665287; CBET 2223447; NNCI-2025489; ACI-1053575

OSTI ID:: 2202564

Report Number(s):: PNNL-SA-181111

Journal Information:: Electrochimica Acta, Vol. 466; ISSN 0013-4686

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

References (39)

Electrical and magnetic properties of the pulsed laser deposited Ca doped LaMnO₃ thin films on Si (100) and their electronic structures Sultan, Khalid; Ikram, M.; Gautam, Sanjeev RSC Advances, Vol. 5, Issue 85 https://doi.org/10.1039/C5RA08028B	journal	January 2015
The iron L edges: Fe 2p X-ray absorption and electron energy loss spectroscopy Miedema, Piter S.; de Groot, Frank M. F. Journal of Electron Spectroscopy and Related Phenomena, Vol. 187 https://doi.org/10.1016/j.elspec.2013.03.005	journal	April 2013
Transition Metal Oxides as Electrocatalysts for the Oxygen Evolution Reaction in Alkaline Solutions: An Application-Inspired Renaissance Song, Fang; Bai, Lichen; Moysiadou, Aliki Journal of the American Chemical Society, Vol. 140, Issue 25 https://doi.org/10.1021/jacs.8b04546	journal	May 2018
Pitfalls in X-ray absorption spectroscopy analysis and interpretation: A practical guide for general users Wang, Maoyu; Feng, Zhenxing Current Opinion in Electrochemistry, Vol. 30 https://doi.org/10.1016/j.coelec.2021.100803	journal	December 2021
Changing the Activity of Electrocatalysts for Oxygen Reduction by Tuning the Surface Electronic Structure Stamenkovic, Vojislav; Mun, Bongjin Simon; Mayrhofer, Karl J. J. Angewandte Chemie International Edition, Vol. 45, Issue 18 https://doi.org/10.1002/anie.200504386	journal	April 2006
In Situ / Operando Electrocatalyst Characterization by X-ray Absorption Spectroscopy Timoshenko, Janis; Roldan Cuenya, Beatriz Chemical Reviews, Vol. 121, Issue 2 https://doi.org/10.1021/acs.chemrev.0c00396	journal	September 2020
Estimating Hybridization of Transition Metal and Oxygen States in Perovskites from O K -edge X-ray Absorption Spectroscopy Suntivich, Jin; Hong, Wesley T.; Lee, Yueh-Lin The Journal of Physical Chemistry C, Vol. 118, Issue 4 https://doi.org/10.1021/jp410644j	journal	January 2014
Spin State Transition in ${LaCoO}_{3}$ Studied Using Soft X-ray Absorption Spectroscopy and Magnetic Circular Dichroism Haverkort, M. W.; Hu, Z.; Cezar, J. C. Physical Review Letters, Vol. 97, Issue 17 https://doi.org/10.1103/PhysRevLett.97.176405	journal	October 2006
Influence of Fe Substitution into LaCoO ₃ Electrocatalysts on Oxygen-Reduction Activity Wang, Maoyu; Han, Binghong; Deng, Junjing ACS Applied Materials & Interfaces, Vol. 11, Issue 6 https://doi.org/10.1021/acsami.8b20780	journal	January 2019
Electrocatalysis for the oxygen evolution reaction: recent development and future perspectives Suen, Nian-Tzu; Hung, Sung-Fu; Quan, Quan Chemical Society Reviews, Vol. 46, Issue 2 https://doi.org/10.1039/C6CS00328A	journal	January 2017
The Electrocatalysis of Oxygen Evolution on Perovskites Bockris, John O'M. Journal of The Electrochemical Society, Vol. 131, Issue 2 https://doi.org/10.1149/1.2115565	journal	January 1984
Iron-Doped Cobalt Monophosphide Nanosheet/Carbon Nanotube Hybrids as Active and Stable Electrocatalysts for Water Splitting Zhang, Xing; Zhang, Xiao; Xu, Haomin Advanced Functional Materials, Vol. 27, Issue 24 https://doi.org/10.1002/adfm.201606635	journal	April 2017
Nickel telluride as a bifunctional electrocatalyst for efficient water splitting in alkaline medium De Silva, Umanga; Masud, Jahangir; Zhang, Ning Journal of Materials Chemistry A, Vol. 6, Issue 17 https://doi.org/10.1039/C8TA01760C	journal	January 2018
Developments and perspectives of oxide-based catalysts for the oxygen evolution reaction Fabbri, E.; Habereder, A.; Waltar, K. Catal. Sci. Technol., Vol. 4, Issue 11 https://doi.org/10.1039/C4CY00669K	journal	January 2014
Stable, high-performance, dendrite-free, seawater-based aqueous batteries Tian, Huajun; Li, Zhao; Feng, Guangxia Nature Communications, Vol. 12, Issue 1 https://doi.org/10.1038/s41467-020-20334-6	journal	January 2021
Oxidatively Electrodeposited Thin-Film Transition Metal (Oxy)hydroxides as Oxygen Evolution Catalysts Morales-Guio, Carlos G.; Liardet, Laurent; Hu, Xile Journal of the American Chemical Society, Vol. 138, Issue 28 https://doi.org/10.1021/jacs.6b05196	journal	July 2016
Boosting oxygen evolution of single-atomic ruthenium through electronic coupling with cobalt-iron layered double hydroxides Li, Pengsong; Wang, Maoyu; Duan, Xinxuan Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-09666-0	journal	April 2019
Atomic Iridium Incorporated in Cobalt Hydroxide for Efficient Oxygen Evolution Catalysis in Neutral Electrolyte Zhang, Youkui; Wu, Chuanqiang; Jiang, Hongliang Advanced Materials, Vol. 30, Issue 18 https://doi.org/10.1002/adma.201707522	journal	March 2018
Selective Partial Substitution of B‐Site with Phosphorus in Perovskite Electrocatalysts for Highly Efficient Oxygen Evolution Reaction Zhang, Wenhua; Zhou, Wulan; Zhang, Zhenbao ChemNanoMat, Vol. 5, Issue 3 https://doi.org/10.1002/cnma.201800387	journal	September 2018
Orientation-Dependent Oxygen Evolution Activities of Rutile IrO ₂ and RuO ₂ Stoerzinger, Kelsey A.; Qiao, Liang; Biegalski, Michael D. The Journal of Physical Chemistry Letters, Vol. 5, Issue 10 https://doi.org/10.1021/jz500610u	journal	April 2014
In Situ X-ray Absorption Spectroscopy Studies of Nanoscale Electrocatalysts Wang, Maoyu; Árnadóttir, Líney; Xu, Zhichuan J. Nano-Micro Letters, Vol. 11, Issue 1 https://doi.org/10.1007/s40820-019-0277-x	journal	June 2019
Recent progress and perspectives of bifunctional oxygen reduction/evolution catalyst development for regenerative anion exchange membrane fuel cells Zhao, Shuai; Yan, Litao; Luo, Hongmei Nano Energy, Vol. 47 https://doi.org/10.1016/j.nanoen.2018.02.015	journal	May 2018
Enhancing Electrocatalytic Activity of Perovskite Oxides by Tuning Cation Deficiency for Oxygen Reduction and Evolution Reactions Zhu, Yinlong; Zhou, Wei; Yu, Jie Chemistry of Materials, Vol. 28, Issue 6 https://doi.org/10.1021/acs.chemmater.5b04457	journal	February 2016
Crystal orbital Hamilton populations (COHP): energy-resolved visualization of chemical bonding in solids based on density-functional calculations Dronskowski, Richard; Bloechl, Peter E. The Journal of Physical Chemistry, Vol. 97, Issue 33 https://doi.org/10.1021/j100135a014	journal	August 1993
The Mechanism of Water Oxidation: From Electrolysis via Homogeneous to Biological Catalysis Dau, Holger; Limberg, Christian; Reier, Tobias ChemCatChem, Vol. 2, Issue 7 https://doi.org/10.1002/cctc.201000126	journal	June 2010
XSEDE: Accelerating Scientific Discovery Towns, John; Cockerill, Timothy; Dahan, Maytal Computing in Science & Engineering, Vol. 16, Issue 5 https://doi.org/10.1109/MCSE.2014.80	journal	September 2014
Ultrahigh Oxygen Evolution Reaction Activity Achieved Using Ir Single Atoms on Amorphous CoO _x Nanosheets Cai, Chao; Wang, Maoyu; Han, Shaobo ACS Catalysis, Vol. 11, Issue 1 https://doi.org/10.1021/acscatal.0c04656	journal	December 2020
Kinetics of Activation Controlled Consecutive Electrochemical Reactions: Anodic Evolution of Oxygen Bockris, J. O'M. The Journal of Chemical Physics, Vol. 24, Issue 4 https://doi.org/10.1063/1.1742616	journal	April 1956
Structural Changes of Cobalt-Based Perovskites upon Water Oxidation Investigated by EXAFS Risch, Marcel; Grimaud, Alexis; May, Kevin J. The Journal of Physical Chemistry C, Vol. 117, Issue 17 https://doi.org/10.1021/jp3126768	journal	April 2013
Erratum: Design principles for oxygen-reduction activity on perovskite oxide catalysts for fuel cells and metal–air batteries Suntivich, Jin; Gasteiger, Hubert A.; Yabuuchi, Naoaki Nature Chemistry, Vol. 3, Issue 8 https://doi.org/10.1038/nchem.1093	journal	July 2011
Operando Identification of the Dynamic Behavior of Oxygen Vacancy-Rich Co ₃ O ₄ for Oxygen Evolution Reaction Xiao, Zhaohui; Huang, Yu-Cheng; Dong, Chung-Li Journal of the American Chemical Society, Vol. 142, Issue 28 https://doi.org/10.1021/jacs.0c00257	journal	June 2020
Effects of crystal structure on Co- $L_{2, 3}$ x-ray absorption near-edge structure and electron-energy-loss near-edge structure of trivalent cobalt oxides Kumagai, Yu; Ikeno, Hidekazu; Oba, Fumiyasu Physical Review B, Vol. 77, Issue 15 https://doi.org/10.1103/PhysRevB.77.155124	journal	April 2008
Phosphorus-Doped Perovskite Oxide as Highly Efficient Water Oxidation Electrocatalyst in Alkaline Solution Zhu, Yinlong; Zhou, Wei; Sunarso, Jaka Advanced Functional Materials, Vol. 26, Issue 32 https://doi.org/10.1002/adfm.201601902	journal	June 2016
Influence of Oxygen Evolution during Water Oxidation on the Surface of Perovskite Oxide Catalysts May, Kevin J.; Carlton, Christopher E.; Stoerzinger, Kelsey A. The Journal of Physical Chemistry Letters, Vol. 3, Issue 22 https://doi.org/10.1021/jz301414z	journal	October 2012
A Perovskite Oxide Optimized for Oxygen Evolution Catalysis from Molecular Orbital Principles Suntivich, J.; May, K. J.; Gasteiger, H. A. Science, Vol. 334, Issue 6061 https://doi.org/10.1126/science.1212858	journal	October 2011
Tailoring the Co 3d-O 2p Covalency in LaCoO ₃ by Fe Substitution To Promote Oxygen Evolution Reaction Duan, Yan; Sun, Shengnan; Xi, Shibo Chemistry of Materials, Vol. 29, Issue 24 https://doi.org/10.1021/acs.chemmater.7b04534	journal	November 2017
L-edge X-ray Absorption Spectroscopy of Non-Heme Iron Sites: Experimental Determination of Differential Orbital Covalency Wasinger, Erik C.; de Groot, Frank M. F.; Hedman, Britt Journal of the American Chemical Society, Vol. 125, Issue 42 https://doi.org/10.1021/ja034634s	journal	October 2003
Engineering phosphorus-doped LaFeO3-δ perovskite oxide as robust bifunctional oxygen electrocatalysts in alkaline solutions Li, Zhishan; Lv, Lin; Wang, Jinsong Nano Energy, Vol. 47 https://doi.org/10.1016/j.nanoen.2018.02.051	journal	May 2018
Oxygen K-edge X-ray Absorption Spectra Frati, Federica; Hunault, Myrtille O. J. Y.; de Groot, Frank M. F. Chemical Reviews, Vol. 120, Issue 9 https://doi.org/10.1021/acs.chemrev.9b00439	journal	April 2020

Similar Records

Tuning Bifunctional Oxygen Electrocatalysts by Changing the A-Site Rare-Earth Element in Perovskite Nickelates

Journal Article · Mon Aug 06 00:00:00 EDT 2018 · Advanced Functional Materials · OSTI ID:2202564

Wang, Le; Stoerzinger, Kelsey A.; Chang, Lei; +16 more

Unusual Role of Point Defects in Perovskite Nickelate Electrocatalysts

Journal Article · Tue May 18 00:00:00 EDT 2021 · ACS Applied Materials and Interfaces · OSTI ID:2202564

Guo, Hongquan; Huang, Jijie; Zhou, Hua; +7 more

Dual-shell silicate and alumina coating for long lasting and high capacity lithium ion batteries

Journal Article · Tue Nov 16 00:00:00 EST 2021 · Journal of Energy Chemistry · OSTI ID:2202564

Lucero, Marcos; Holstun, Tucker M.; Yao, Yudong; +7 more

Related Subjects

25 ENERGY STORAGE
oxygen evolution reaction
electronic structure
property descriptor
in-situ
x-ray absorption spectroscopy

Title: The role of nonmetallic ion substitution in perovskite LaCoO3 for improved oxygen evolution reaction activity

Citation Formats

References (39)

Similar Records

Related Subjects

Title: The role of nonmetallic ion substitution in perovskite LaCoO₃ for improved oxygen evolution reaction activity