Tensile Strain and Interatomic Orbital Hybridization Effects Boost the Electrocatalytic Performance of Intermetallic Pd3Pb Nanowires for Ethanol Electrooxidation

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外文摘要：We present a strategy that effectively modulate the d-band electronic structure of the active center by strain effect and interatomic orbital hybridization.This strategy efficiently promotes the kinetic process of the ethanol oxidation reaction(EOR)in alkaline media.In the intermetallic Pd3Pb nanowires,the introduction of Pb not only causes the lattice expansion of Pd but also achieves the interatomic orbital hybridization bonding with Pd.Such interatomic orbital hybridization effect and tensile strain effect can effectively achieve a co-regulation of the d-band electronic structure of Pd,which directly affects the adsorption behavior of intermediate on Pd for EOR.Hence,the intermetallic Pd3Pb nanowires demonstrate enhanced EOR activity and anti-poisoning ability against COads.Theoretical calculations show that the enhanced OH*adsorption ability and the low energy barrier for the oxidative dehydrogenation of ethanol are the keys to high EOR activity and stability of the intermetallic Pd3Pb nanowires.

外文关键词：

Intermetallic structureOrbital hybridizationd-band structureEthanol oxidationSynergistic effect

作者：

Bo-Qiang Miao、Zi-Han Yuan、Xi-Lai Liu、Xuan Ai、Guang-Tao Zhao、Pei Chen、Pu-Jun Jin、Yu Chen

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作者单位：

Key Laboratory of Macromolecular Science of Shaanxi Province 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,Shaanxi 710062,China

出版年：

2024

DOI：

10.1002/cjoc.202400450

中国化学(英文版)

中国化学会上海有机化学研究所

中国化学(英文版)

CSTPCD

影响因子：0.848

ISSN：1001-604X

年,卷(期)：2024.42(21)