Lattice Oxygen Redox Dynamics in Zeolite‐Encapsulated CsPbBr3 Perovskite OER Electrocatalysts

Abstract Understanding the oxygen evolution reaction (OER) mechanism is pivotal for improving the overall efficiency of water electrolysis. Despite methylammonium lead halide perovskites (MAPbX3) have shown promising OER performance due to their soft‐lattice nature that allows lattice‐oxygen oxidati...

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Main Authors: Xiangrong Ren, Yiyue Zhai, Na Yang, Bolun Wang, Shengzhong (Frank) Liu
Format: Article
Language:English
Published: Wiley 2025-02-01
Series:Advanced Science
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Online Access:https://doi.org/10.1002/advs.202412679
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author Xiangrong Ren
Yiyue Zhai
Na Yang
Bolun Wang
Shengzhong (Frank) Liu
author_facet Xiangrong Ren
Yiyue Zhai
Na Yang
Bolun Wang
Shengzhong (Frank) Liu
author_sort Xiangrong Ren
collection DOAJ
description Abstract Understanding the oxygen evolution reaction (OER) mechanism is pivotal for improving the overall efficiency of water electrolysis. Despite methylammonium lead halide perovskites (MAPbX3) have shown promising OER performance due to their soft‐lattice nature that allows lattice‐oxygen oxidation of active α‐PbO2 layer surface, the role of A‐site MA or X‐site elements in the electrochemical reconstruction and OER mechanisms has yet to be explored. Here, it is demonstrated that the OER mechanism of perovskite@zeolite composites is intrinsically dominated by the A‐site group of lead‐halide perovskites, while the type of X‐site halogen is crucial for the reconstruction kinetics of the composites. Using CsPbBrxI3‐x@AlPO‐5 (x = 0, 1, 2, 3) as a model OER catalyst, it is found that the CsPbBr3@AlPO‐5 behaves oxygen‐intercalation pseudocapacitance during surface restructuring due to absence of halogen‐ion migration and phase separation in the CsPbBr3, achieving a larger diffusion rate of OH− within the core‐shell structure. Moreover, distinct from the single‐metal‐site mechanism of MAPbBr3@AlPO‐5, experimental and theoretical investigations reveal that the soft lattice nature of CsPbBr3 triggers the oxygen‐vacancy‐site mechanism via the CsPbBr3/α‐PbO2 interface, resulting in excellent OER performance. Owing to the variety and easy tailoring of lead‐halide perovskite compositions, these findings pave a way for the development of novel perovskite@zeolite type catalysts for efficient oxygen electrocatalysis.
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spelling doaj-art-12da974ab78b4edd8b1ca10c98f4c45c2025-08-20T03:49:36ZengWileyAdvanced Science2198-38442025-02-01128n/an/a10.1002/advs.202412679Lattice Oxygen Redox Dynamics in Zeolite‐Encapsulated CsPbBr3 Perovskite OER ElectrocatalystsXiangrong Ren0Yiyue Zhai1Na Yang2Bolun Wang3Shengzhong (Frank) Liu4Key Laboratory of Applied Surface and Colloid Chemistry Ministry of Education Shaanxi Key Laboratory for Advanced Energy Devices Shaanxi Engineering Lab for Advanced Energy Technology School of Materials Science and Engineering Shaanxi Normal University Xi'an 710119 P. R. ChinaKey Laboratory of Applied Surface and Colloid Chemistry Ministry of Education Shaanxi Key Laboratory for Advanced Energy Devices Shaanxi Engineering Lab for Advanced Energy Technology School of Materials Science and Engineering Shaanxi Normal University Xi'an 710119 P. R. ChinaSchool of Materials and Energy University of Electronic Science and Technology of China Chengdu 611731 P. R. ChinaState Key Laboratory of Inorganic Synthesis and Preparative Chemistry College of Chemistry International Center of Future Science Jilin University Changchun 130012 P. R. ChinaKey Laboratory of Applied Surface and Colloid Chemistry Ministry of Education Shaanxi Key Laboratory for Advanced Energy Devices Shaanxi Engineering Lab for Advanced Energy Technology School of Materials Science and Engineering Shaanxi Normal University Xi'an 710119 P. R. ChinaAbstract Understanding the oxygen evolution reaction (OER) mechanism is pivotal for improving the overall efficiency of water electrolysis. Despite methylammonium lead halide perovskites (MAPbX3) have shown promising OER performance due to their soft‐lattice nature that allows lattice‐oxygen oxidation of active α‐PbO2 layer surface, the role of A‐site MA or X‐site elements in the electrochemical reconstruction and OER mechanisms has yet to be explored. Here, it is demonstrated that the OER mechanism of perovskite@zeolite composites is intrinsically dominated by the A‐site group of lead‐halide perovskites, while the type of X‐site halogen is crucial for the reconstruction kinetics of the composites. Using CsPbBrxI3‐x@AlPO‐5 (x = 0, 1, 2, 3) as a model OER catalyst, it is found that the CsPbBr3@AlPO‐5 behaves oxygen‐intercalation pseudocapacitance during surface restructuring due to absence of halogen‐ion migration and phase separation in the CsPbBr3, achieving a larger diffusion rate of OH− within the core‐shell structure. Moreover, distinct from the single‐metal‐site mechanism of MAPbBr3@AlPO‐5, experimental and theoretical investigations reveal that the soft lattice nature of CsPbBr3 triggers the oxygen‐vacancy‐site mechanism via the CsPbBr3/α‐PbO2 interface, resulting in excellent OER performance. Owing to the variety and easy tailoring of lead‐halide perovskite compositions, these findings pave a way for the development of novel perovskite@zeolite type catalysts for efficient oxygen electrocatalysis.https://doi.org/10.1002/advs.202412679electrocatalysthalide perovskitesOERsurface reconstructionzeolites
spellingShingle Xiangrong Ren
Yiyue Zhai
Na Yang
Bolun Wang
Shengzhong (Frank) Liu
Lattice Oxygen Redox Dynamics in Zeolite‐Encapsulated CsPbBr3 Perovskite OER Electrocatalysts
Advanced Science
electrocatalyst
halide perovskites
OER
surface reconstruction
zeolites
title Lattice Oxygen Redox Dynamics in Zeolite‐Encapsulated CsPbBr3 Perovskite OER Electrocatalysts
title_full Lattice Oxygen Redox Dynamics in Zeolite‐Encapsulated CsPbBr3 Perovskite OER Electrocatalysts
title_fullStr Lattice Oxygen Redox Dynamics in Zeolite‐Encapsulated CsPbBr3 Perovskite OER Electrocatalysts
title_full_unstemmed Lattice Oxygen Redox Dynamics in Zeolite‐Encapsulated CsPbBr3 Perovskite OER Electrocatalysts
title_short Lattice Oxygen Redox Dynamics in Zeolite‐Encapsulated CsPbBr3 Perovskite OER Electrocatalysts
title_sort lattice oxygen redox dynamics in zeolite encapsulated cspbbr3 perovskite oer electrocatalysts
topic electrocatalyst
halide perovskites
OER
surface reconstruction
zeolites
url https://doi.org/10.1002/advs.202412679
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AT yiyuezhai latticeoxygenredoxdynamicsinzeoliteencapsulatedcspbbr3perovskiteoerelectrocatalysts
AT nayang latticeoxygenredoxdynamicsinzeoliteencapsulatedcspbbr3perovskiteoerelectrocatalysts
AT bolunwang latticeoxygenredoxdynamicsinzeoliteencapsulatedcspbbr3perovskiteoerelectrocatalysts
AT shengzhongfrankliu latticeoxygenredoxdynamicsinzeoliteencapsulatedcspbbr3perovskiteoerelectrocatalysts