Potential‐Driven Dynamic Spring‐Effect of Pd─Cu Dual‐Atoms Empowered Stability and Activity for Electrocatalytic Reduction

Abstract Atomic‐level catalysts are extensively applied in heterogeneous catalysis fields. However, it is a general but ineluctable issue that active metal atoms may migrate, aggregate, deactivate, or leach during reaction processes, suppressing their catalytic performances. Designing superior intri...

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Main Authors: Pei‐Hua Li, Yuan‐Fan Yang, Zong‐Yin Song, Bo Liang, Yong‐Huan Zhao, Xin Cai, Zi‐Hao Liu, Jing‐Yi Lin, Meng Yang, Xiangyu Xiao, Jing Zhang, Wen‐Qing Liu, Xing‐Jiu Huang
Format: Article
Language:English
Published: Wiley 2025-07-01
Series:Advanced Science
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Online Access:https://doi.org/10.1002/advs.202501393
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author Pei‐Hua Li
Yuan‐Fan Yang
Zong‐Yin Song
Bo Liang
Yong‐Huan Zhao
Xin Cai
Zi‐Hao Liu
Jing‐Yi Lin
Meng Yang
Xiangyu Xiao
Jing Zhang
Wen‐Qing Liu
Xing‐Jiu Huang
author_facet Pei‐Hua Li
Yuan‐Fan Yang
Zong‐Yin Song
Bo Liang
Yong‐Huan Zhao
Xin Cai
Zi‐Hao Liu
Jing‐Yi Lin
Meng Yang
Xiangyu Xiao
Jing Zhang
Wen‐Qing Liu
Xing‐Jiu Huang
author_sort Pei‐Hua Li
collection DOAJ
description Abstract Atomic‐level catalysts are extensively applied in heterogeneous catalysis fields. However, it is a general but ineluctable issue that active metal atoms may migrate, aggregate, deactivate, or leach during reaction processes, suppressing their catalytic performances. Designing superior intrinsic‐structural stability of atomic‐level catalysts with high activity and revealing their dynamic structure evolution is vital for their wide applications in complex reactions or harsh conditions. Herein, high‐stable Pd─Cu dual‐atom catalysts with PdN3─CuN3 coordination structure are engineered via strong chelation of Cu2+‐ions with electron pairs from palladium‐source, achieving the highest turnover frequency under the lowest overpotential for Cr(VI) electrocatalytic reduction detection in strong‐acid electrolytes. In situ X‐ray absorption fine structure spectra reveal dynamic “spring‐effect” of Cu─Pd and Cu─N bonds that are reversibly stretched with potential changes and can be recovered at 0.6 V for regeneration. The modulated electron‐orbit coupling effect of Pd─Cu pairs prevents Cu‐atoms from aggregating as metallic nanoparticles. Pd─Cu dual‐atoms interact with two O atoms of H2CrO4, forming stable bridge configurations and transferring electrons to promote Cr─O bond dissociation, which prominently decreases reaction energy barriers. This work provides a feasible route to boost the stability and robustness of metal single‐atoms that are easily affected by reaction conditions for sustainable catalytic applications.
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spelling doaj-art-a55fa08b0cfb491c933f6db991afe5542025-08-20T03:32:37ZengWileyAdvanced Science2198-38442025-07-011228n/an/a10.1002/advs.202501393Potential‐Driven Dynamic Spring‐Effect of Pd─Cu Dual‐Atoms Empowered Stability and Activity for Electrocatalytic ReductionPei‐Hua Li0Yuan‐Fan Yang1Zong‐Yin Song2Bo Liang3Yong‐Huan Zhao4Xin Cai5Zi‐Hao Liu6Jing‐Yi Lin7Meng Yang8Xiangyu Xiao9Jing Zhang10Wen‐Qing Liu11Xing‐Jiu Huang12Institute of Environment Hefei Comprehensive National Science Center Hefei 230088 P. R. ChinaKey Laboratory of Environmental Optics and Technology And Environmental Materials and Pollution Control Laboratory Institute of Solid State Physics HFIPS, Chinese Academy of Sciences Hefei 230031 P. R. ChinaKey Laboratory of Environmental Optics and Technology And Environmental Materials and Pollution Control Laboratory Institute of Solid State Physics HFIPS, Chinese Academy of Sciences Hefei 230031 P. R. ChinaKey Laboratory of Environmental Optics and Technology And Environmental Materials and Pollution Control Laboratory Institute of Solid State Physics HFIPS, Chinese Academy of Sciences Hefei 230031 P. R. ChinaKey Laboratory of Environmental Optics and Technology And Environmental Materials and Pollution Control Laboratory Institute of Solid State Physics HFIPS, Chinese Academy of Sciences Hefei 230031 P. R. ChinaKey Laboratory of Environmental Optics and Technology And Environmental Materials and Pollution Control Laboratory Institute of Solid State Physics HFIPS, Chinese Academy of Sciences Hefei 230031 P. R. ChinaKey Laboratory of Environmental Optics and Technology And Environmental Materials and Pollution Control Laboratory Institute of Solid State Physics HFIPS, Chinese Academy of Sciences Hefei 230031 P. R. ChinaKey Laboratory of Environmental Optics and Technology And Environmental Materials and Pollution Control Laboratory Institute of Solid State Physics HFIPS, Chinese Academy of Sciences Hefei 230031 P. R. ChinaInstitute of Environment Hefei Comprehensive National Science Center Hefei 230088 P. R. ChinaKey Laboratory of Organic Compound Pollution Control Engineering (MOE) School of Environmental and Chemical Engineering Shanghai University Shanghai 200444 P. R. ChinaBeijing Synchrotron Radiation Facility Institute of High Energy Physics Chinese Academy of Sciences Beijing 100049 P. R. ChinaInstitute of Environment Hefei Comprehensive National Science Center Hefei 230088 P. R. ChinaInstitute of Environment Hefei Comprehensive National Science Center Hefei 230088 P. R. ChinaAbstract Atomic‐level catalysts are extensively applied in heterogeneous catalysis fields. However, it is a general but ineluctable issue that active metal atoms may migrate, aggregate, deactivate, or leach during reaction processes, suppressing their catalytic performances. Designing superior intrinsic‐structural stability of atomic‐level catalysts with high activity and revealing their dynamic structure evolution is vital for their wide applications in complex reactions or harsh conditions. Herein, high‐stable Pd─Cu dual‐atom catalysts with PdN3─CuN3 coordination structure are engineered via strong chelation of Cu2+‐ions with electron pairs from palladium‐source, achieving the highest turnover frequency under the lowest overpotential for Cr(VI) electrocatalytic reduction detection in strong‐acid electrolytes. In situ X‐ray absorption fine structure spectra reveal dynamic “spring‐effect” of Cu─Pd and Cu─N bonds that are reversibly stretched with potential changes and can be recovered at 0.6 V for regeneration. The modulated electron‐orbit coupling effect of Pd─Cu pairs prevents Cu‐atoms from aggregating as metallic nanoparticles. Pd─Cu dual‐atoms interact with two O atoms of H2CrO4, forming stable bridge configurations and transferring electrons to promote Cr─O bond dissociation, which prominently decreases reaction energy barriers. This work provides a feasible route to boost the stability and robustness of metal single‐atoms that are easily affected by reaction conditions for sustainable catalytic applications.https://doi.org/10.1002/advs.202501393dual‐atom catalystselectrochemical catalysisin situ XAFSsingle‐atom catalystsspring effect
spellingShingle Pei‐Hua Li
Yuan‐Fan Yang
Zong‐Yin Song
Bo Liang
Yong‐Huan Zhao
Xin Cai
Zi‐Hao Liu
Jing‐Yi Lin
Meng Yang
Xiangyu Xiao
Jing Zhang
Wen‐Qing Liu
Xing‐Jiu Huang
Potential‐Driven Dynamic Spring‐Effect of Pd─Cu Dual‐Atoms Empowered Stability and Activity for Electrocatalytic Reduction
Advanced Science
dual‐atom catalysts
electrochemical catalysis
in situ XAFS
single‐atom catalysts
spring effect
title Potential‐Driven Dynamic Spring‐Effect of Pd─Cu Dual‐Atoms Empowered Stability and Activity for Electrocatalytic Reduction
title_full Potential‐Driven Dynamic Spring‐Effect of Pd─Cu Dual‐Atoms Empowered Stability and Activity for Electrocatalytic Reduction
title_fullStr Potential‐Driven Dynamic Spring‐Effect of Pd─Cu Dual‐Atoms Empowered Stability and Activity for Electrocatalytic Reduction
title_full_unstemmed Potential‐Driven Dynamic Spring‐Effect of Pd─Cu Dual‐Atoms Empowered Stability and Activity for Electrocatalytic Reduction
title_short Potential‐Driven Dynamic Spring‐Effect of Pd─Cu Dual‐Atoms Empowered Stability and Activity for Electrocatalytic Reduction
title_sort potential driven dynamic spring effect of pd─cu dual atoms empowered stability and activity for electrocatalytic reduction
topic dual‐atom catalysts
electrochemical catalysis
in situ XAFS
single‐atom catalysts
spring effect
url https://doi.org/10.1002/advs.202501393
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