首页|Asymmetric orbital hybridization in Zn-doped antiperovskite Cu1-xZnxNMn3 enables highly efficient electrocatalytic hydrogen production
Asymmetric orbital hybridization in Zn-doped antiperovskite Cu1-xZnxNMn3 enables highly efficient electrocatalytic hydrogen production
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Rational design of efficient and robust earth-abundant alkaline hydrogen evolution reaction(HER)cata-lysts is a key factor for developing energy conversion technologies.Currently,antiperovskite nitride CuNMn3 has garnered significant interest due to its remarkable properties such as negative/zero thermal expansion and magnetocaloric effects.However,when utilized as hydrogen evolution catalysts,it encounters large challenge resulting from excessively strong/weak interactions with adsorbed H on Mn/Cu active sites,which leads to low HER activity.In this study,we introduce an asymmetric orbital hybridization strategy in Zn-doped Cu1-xZnxNMn3 by leveraging the localization of Zn electronic states to reconfigure the electronic structures of Cu and Mn,thereby reducing the energy barrier for water dis-sociation and optimizing Cu and Mn active sites for hydrogen adsorption and H2 production.Electrochemical evaluations reveal that Cu0.85Zn0.15NMn3 with x=0.15 demonstrates exceptional elec-trocatalytic activity in alkaline electrolytes.A low overpotential of 52 mV at 10 mA cm-2 and outstanding stability over a 150-h test period are achieved,surpassing commercial Pt/C.This research offers a novel strategy for enhancing HER performance by modulating asymmetric hybridization of electron orbitals between multiple metal atoms within a material structure.
Cu1-xZnxNMn3Asymmetric orbital hybridizationHydrogen adsorptionHydrogen production
National Laboratory of Solid States Microstructures and School of Physics,Nanjing University,Nanjing 210093,Jiangsu,China
College of Engineering and Applied Sciences,Nanjing University,Nanjing 210093,Jiangsu,China
National Laboratory of Solid States Microstructures and Research Institute of Superconductor Electronics,Nanjing University,Nanjing 210093,Jiangsu,China
School of Mathematics & Physics,Jiangsu University Science & Technology,Zhenjiang 212003,Jiangsu,China
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National Key R&D Program of ChinaNational Natural Science Foundation of ChinaNational Natural Science Foundation of ChinaNational Natural Science Foundation of ChinaNSF of Jiangsu ProvinceFundamental Research Funds for the Central UniversitiesJiangsu Key Laboratory of Advanced Techniques for Manipulating Electromagnetic Waves
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