La0.75Sr0.25MnO3-based perovskite oxides as efficient and durable bifunctional oxygen electrocatalysts in rechargeable Zn-air batteries = La0.75Sr0.25MnO3基钙钛矿氧化物作为可充电锌空气电池中高效耐用的双功能氧电催化剂

Ziyi SHUI; Huiying TIAN; Sile YU; Hang XIAO; Wei ZHAO; Xi CHEN

doi:10.1007/s40843-022-2203-5

La_0.75Sr_0.25MnO₃-based perovskite oxides as efficient and durable bifunctional oxygen electrocatalysts in rechargeable Zn-air batteries = La_0.75Sr_0.25MnO₃基钙钛矿氧化物作为可充电锌空气电池中高效耐用的双功能氧电催化剂

Ziyi SHUI, Huiying TIAN, Sile YU, Hang XIAO, Wei ZHAO^*, Xi CHEN^*

^*Corresponding author for this work

Research output: Journal Publications › Journal Article (refereed) › peer-review

11 Citations (Scopus)

Abstract

Efficient and durable bifunctional oxygen electrocatalysts are critical for advanced rechargeable zinc-air (Zn-air) batteries. However, the obstacle to the development of bifunctional electrocatalysts for the oxygen reduction reaction (ORR)/oxygen evolution reaction (OER) lies in the different requirements of the ORR and OER for catalytic materials. Herein, La_0.75Sr_0.25Mn_0.5X_0.5O₃ (X = Co, Ni, and Fe) perovskite nanoparticles were created by rationally screening targeted ORR/OER components and precisely controlling their electronic structures to achieve bifunctional oxygen electrocatalysis, in which La_0.75Sr_0.25Mn_0.5Fe_0.5O₃ (LSFMO) displayed superior ORR performance (E_onset of 0.932 V and n of 3.59) and significantly enhanced electrocatalytic activity in the OER process (an E_j=10 of 1.658 V and overpotential of 428 mV), corresponding to excellent bifunctional properties (ΔE = 0.94 V). Furthermore, density functional theory (DFT) calculations demonstrated that Mn and Fe dual sites generated by partial substitution had a significant synergistic effect on the electrocatalytic process. The rechargeable Zn-air batteries delivered an unprecedented small charge-discharge voltage polarization (0.76 V), high reversibility and stability over many charge-discharge cycles (60 h). These excellent results demonstrate that Mn-based perovskites with Fe doping are undoubtedly promising bifunctional electrocatalysts for rechargeable Zn-air batteries.

高效耐用的双功能氧电催化剂对于先进的可充电锌空气电池至关重要。然而，发展氧还原反应 (ORR)/ 析氧反应 (OER) 双功能电催化剂的障碍在于ORR和OER对催化材料的要求不同。本工作通过合理筛选目标ORR/OER组分并精确控制其电子结构，制备了La_0.75Sr_0.25Mn_0.5X_0.5-O₃ (X = Co、Ni和Fe) 钙钛矿纳米颗粒，其中La_0.75Sr_0.25Mn_0.5Fe_0.5O₃(LSFMO) 具有优异的ORR性能 (E_onset = 0.932 V，n = 3.59)，同时表现出了显著增强的OER电催化活性 (E_j=10 = 1.658 V，过电位= 428 mV)，实现了出色的双功能特性(ΔE = 0.94 V)。此外，密度泛函理论计算表明，部分取代后产生的Mn和Fe双位点对电催化过程具有显着的协同作用。可充锌空气电池展现出前所未有的小充放电电压极化 (0.76 V)、高度可逆性和长充放电循环稳定性 (60 h)。如此优异的结果表明，掺杂铁的锰基钙钛矿无疑是用于可充电锌空气电池非常有前途的双功能电催化剂。

Original language	English
Pages (from-to)	1002-1012
Number of pages	11
Journal	Science China Materials
Volume	66
Issue number	3
Early online date	31 Oct 2022
DOIs	https://doi.org/10.1007/s40843-022-2203-5
Publication status	Published - Mar 2023
Externally published	Yes

Bibliographical note

Publisher Copyright:
© 2022, Science China Press and Springer-Verlag GmbH Germany, part of Springer Nature.

Funding

This work was financially supported by the Earth Engineering Center and Center for Advanced Materials for Energy and Environment at Columbia University, the School of Chemical Engineering, Northwest University, the National Natural Science Foundation of China (11872302), and the Natural Science Project of Shaanxi Provincial Department of Education (20JK0927).

Keywords

B-site substitution
density functional theory
oxygen evolution reaction
oxygen reduction reaction
rechargeable Zn-air battery

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10.1007/s40843-022-2203-5

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SHUI, Z., TIAN, H., YU, S., XIAO, H., ZHAO, W., & CHEN, X. (2023). La_0.75Sr_0.25MnO₃-based perovskite oxides as efficient and durable bifunctional oxygen electrocatalysts in rechargeable Zn-air batteries = La_0.75Sr_0.25MnO₃基钙钛矿氧化物作为可充电锌空气电池中高效耐用的双功能氧电催化剂. Science China Materials, 66(3), 1002-1012. https://doi.org/10.1007/s40843-022-2203-5

@article{07ee2bc8e2c942f2a5c796079425a888,

title = "La0.75Sr0.25MnO3-based perovskite oxides as efficient and durable bifunctional oxygen electrocatalysts in rechargeable Zn-air batteries = La0.75Sr0.25MnO3基钙钛矿氧化物作为可充电锌空气电池中高效耐用的双功能氧电催化剂",

abstract = "Efficient and durable bifunctional oxygen electrocatalysts are critical for advanced rechargeable zinc-air (Zn-air) batteries. However, the obstacle to the development of bifunctional electrocatalysts for the oxygen reduction reaction (ORR)/oxygen evolution reaction (OER) lies in the different requirements of the ORR and OER for catalytic materials. Herein, La0.75Sr0.25Mn0.5X0.5O3 (X = Co, Ni, and Fe) perovskite nanoparticles were created by rationally screening targeted ORR/OER components and precisely controlling their electronic structures to achieve bifunctional oxygen electrocatalysis, in which La0.75Sr0.25Mn0.5Fe0.5O3 (LSFMO) displayed superior ORR performance (Eonset of 0.932 V and n of 3.59) and significantly enhanced electrocatalytic activity in the OER process (an Ej=10 of 1.658 V and overpotential of 428 mV), corresponding to excellent bifunctional properties (ΔE = 0.94 V). Furthermore, density functional theory (DFT) calculations demonstrated that Mn and Fe dual sites generated by partial substitution had a significant synergistic effect on the electrocatalytic process. The rechargeable Zn-air batteries delivered an unprecedented small charge-discharge voltage polarization (0.76 V), high reversibility and stability over many charge-discharge cycles (60 h). These excellent results demonstrate that Mn-based perovskites with Fe doping are undoubtedly promising bifunctional electrocatalysts for rechargeable Zn-air batteries.高效耐用的双功能氧电催化剂对于先进的可充电锌空气电池至关重要。然而，发展氧还原反应 (ORR)/ 析氧反应 (OER) 双功能电催化剂的障碍在于ORR和OER对催化材料的要求不同。本工作通过合理筛选目标ORR/OER组分并精确控制其电子结构，制备了La0.75Sr0.25Mn0.5X0.5-O3 (X = Co、Ni和Fe) 钙钛矿纳米颗粒，其中La0.75Sr0.25Mn0.5Fe0.5O3 (LSFMO) 具有优异的ORR性能 (Eonset = 0.932 V，n = 3.59)，同时表现出了显著增强的OER电催化活性 (Ej=10 = 1.658 V，过电位= 428 mV)，实现了出色的双功能特性(ΔE = 0.94 V)。此外，密度泛函理论计算表明，部分取代后产生的Mn和Fe双位点对电催化过程具有显着的协同作用。可充锌空气电池展现出前所未有的小充放电电压极化 (0.76 V)、高度可逆性和长充放电循环稳定性 (60 h)。如此优异的结果表明，掺杂铁的锰基钙钛矿无疑是用于可充电锌空气电池非常有前途的双功能电催化剂。",

keywords = "B-site substitution, density functional theory, oxygen evolution reaction, oxygen reduction reaction, rechargeable Zn-air battery",

author = "Ziyi SHUI and Huiying TIAN and Sile YU and Hang XIAO and Wei ZHAO and Xi CHEN",

note = "Publisher Copyright: {\textcopyright} 2022, Science China Press and Springer-Verlag GmbH Germany, part of Springer Nature.",

year = "2023",

month = mar,

doi = "10.1007/s40843-022-2203-5",

language = "English",

volume = "66",

pages = "1002--1012",

journal = "Science China Materials",

issn = "2095-8226",

publisher = "Science China Press",

number = "3",

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SHUI, Z, TIAN, H, YU, S, XIAO, H, ZHAO, W & CHEN, X 2023, 'La_0.75Sr_0.25MnO₃-based perovskite oxides as efficient and durable bifunctional oxygen electrocatalysts in rechargeable Zn-air batteries = La_0.75Sr_0.25MnO₃基钙钛矿氧化物作为可充电锌空气电池中高效耐用的双功能氧电催化剂', Science China Materials, vol. 66, no. 3, pp. 1002-1012. https://doi.org/10.1007/s40843-022-2203-5

La_0.75Sr_0.25MnO₃-based perovskite oxides as efficient and durable bifunctional oxygen electrocatalysts in rechargeable Zn-air batteries = La_0.75Sr_0.25MnO₃基钙钛矿氧化物作为可充电锌空气电池中高效耐用的双功能氧电催化剂. / SHUI, Ziyi; TIAN, Huiying; YU, Sile et al.
In: Science China Materials, Vol. 66, No. 3, 03.2023, p. 1002-1012.

Research output: Journal Publications › Journal Article (refereed) › peer-review

TY - JOUR

T1 - La0.75Sr0.25MnO3-based perovskite oxides as efficient and durable bifunctional oxygen electrocatalysts in rechargeable Zn-air batteries = La0.75Sr0.25MnO3基钙钛矿氧化物作为可充电锌空气电池中高效耐用的双功能氧电催化剂

AU - SHUI, Ziyi

AU - TIAN, Huiying

AU - YU, Sile

AU - XIAO, Hang

AU - ZHAO, Wei

AU - CHEN, Xi

PY - 2023/3

Y1 - 2023/3

N2 - Efficient and durable bifunctional oxygen electrocatalysts are critical for advanced rechargeable zinc-air (Zn-air) batteries. However, the obstacle to the development of bifunctional electrocatalysts for the oxygen reduction reaction (ORR)/oxygen evolution reaction (OER) lies in the different requirements of the ORR and OER for catalytic materials. Herein, La0.75Sr0.25Mn0.5X0.5O3 (X = Co, Ni, and Fe) perovskite nanoparticles were created by rationally screening targeted ORR/OER components and precisely controlling their electronic structures to achieve bifunctional oxygen electrocatalysis, in which La0.75Sr0.25Mn0.5Fe0.5O3 (LSFMO) displayed superior ORR performance (Eonset of 0.932 V and n of 3.59) and significantly enhanced electrocatalytic activity in the OER process (an Ej=10 of 1.658 V and overpotential of 428 mV), corresponding to excellent bifunctional properties (ΔE = 0.94 V). Furthermore, density functional theory (DFT) calculations demonstrated that Mn and Fe dual sites generated by partial substitution had a significant synergistic effect on the electrocatalytic process. The rechargeable Zn-air batteries delivered an unprecedented small charge-discharge voltage polarization (0.76 V), high reversibility and stability over many charge-discharge cycles (60 h). These excellent results demonstrate that Mn-based perovskites with Fe doping are undoubtedly promising bifunctional electrocatalysts for rechargeable Zn-air batteries.高效耐用的双功能氧电催化剂对于先进的可充电锌空气电池至关重要。然而，发展氧还原反应 (ORR)/ 析氧反应 (OER) 双功能电催化剂的障碍在于ORR和OER对催化材料的要求不同。本工作通过合理筛选目标ORR/OER组分并精确控制其电子结构，制备了La0.75Sr0.25Mn0.5X0.5-O3 (X = Co、Ni和Fe) 钙钛矿纳米颗粒，其中La0.75Sr0.25Mn0.5Fe0.5O3 (LSFMO) 具有优异的ORR性能 (Eonset = 0.932 V，n = 3.59)，同时表现出了显著增强的OER电催化活性 (Ej=10 = 1.658 V，过电位= 428 mV)，实现了出色的双功能特性(ΔE = 0.94 V)。此外，密度泛函理论计算表明，部分取代后产生的Mn和Fe双位点对电催化过程具有显着的协同作用。可充锌空气电池展现出前所未有的小充放电电压极化 (0.76 V)、高度可逆性和长充放电循环稳定性 (60 h)。如此优异的结果表明，掺杂铁的锰基钙钛矿无疑是用于可充电锌空气电池非常有前途的双功能电催化剂。

AB - Efficient and durable bifunctional oxygen electrocatalysts are critical for advanced rechargeable zinc-air (Zn-air) batteries. However, the obstacle to the development of bifunctional electrocatalysts for the oxygen reduction reaction (ORR)/oxygen evolution reaction (OER) lies in the different requirements of the ORR and OER for catalytic materials. Herein, La0.75Sr0.25Mn0.5X0.5O3 (X = Co, Ni, and Fe) perovskite nanoparticles were created by rationally screening targeted ORR/OER components and precisely controlling their electronic structures to achieve bifunctional oxygen electrocatalysis, in which La0.75Sr0.25Mn0.5Fe0.5O3 (LSFMO) displayed superior ORR performance (Eonset of 0.932 V and n of 3.59) and significantly enhanced electrocatalytic activity in the OER process (an Ej=10 of 1.658 V and overpotential of 428 mV), corresponding to excellent bifunctional properties (ΔE = 0.94 V). Furthermore, density functional theory (DFT) calculations demonstrated that Mn and Fe dual sites generated by partial substitution had a significant synergistic effect on the electrocatalytic process. The rechargeable Zn-air batteries delivered an unprecedented small charge-discharge voltage polarization (0.76 V), high reversibility and stability over many charge-discharge cycles (60 h). These excellent results demonstrate that Mn-based perovskites with Fe doping are undoubtedly promising bifunctional electrocatalysts for rechargeable Zn-air batteries.高效耐用的双功能氧电催化剂对于先进的可充电锌空气电池至关重要。然而，发展氧还原反应 (ORR)/ 析氧反应 (OER) 双功能电催化剂的障碍在于ORR和OER对催化材料的要求不同。本工作通过合理筛选目标ORR/OER组分并精确控制其电子结构，制备了La0.75Sr0.25Mn0.5X0.5-O3 (X = Co、Ni和Fe) 钙钛矿纳米颗粒，其中La0.75Sr0.25Mn0.5Fe0.5O3 (LSFMO) 具有优异的ORR性能 (Eonset = 0.932 V，n = 3.59)，同时表现出了显著增强的OER电催化活性 (Ej=10 = 1.658 V，过电位= 428 mV)，实现了出色的双功能特性(ΔE = 0.94 V)。此外，密度泛函理论计算表明，部分取代后产生的Mn和Fe双位点对电催化过程具有显着的协同作用。可充锌空气电池展现出前所未有的小充放电电压极化 (0.76 V)、高度可逆性和长充放电循环稳定性 (60 h)。如此优异的结果表明，掺杂铁的锰基钙钛矿无疑是用于可充电锌空气电池非常有前途的双功能电催化剂。

KW - B-site substitution

KW - density functional theory

KW - oxygen evolution reaction

KW - oxygen reduction reaction

KW - rechargeable Zn-air battery

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DO - 10.1007/s40843-022-2203-5

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SHUI Z, TIAN H, YU S, XIAO H, ZHAO W, CHEN X. La_0.75Sr_0.25MnO₃-based perovskite oxides as efficient and durable bifunctional oxygen electrocatalysts in rechargeable Zn-air batteries = La_0.75Sr_0.25MnO₃基钙钛矿氧化物作为可充电锌空气电池中高效耐用的双功能氧电催化剂. Science China Materials. 2023 Mar;66(3):1002-1012. Epub 2022 Oct 31. doi: 10.1007/s40843-022-2203-5