首页|Screening A-site ordered quadruple perovskites for alkaline hydrogen evolution reaction via unifying electronic configuration descriptor
Screening A-site ordered quadruple perovskites for alkaline hydrogen evolution reaction via unifying electronic configuration descriptor
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Screening A-site ordered quadruple perovskites for alkaline hydrogen evolution reaction via unifying electronic configuration descriptor
Dynamic adsorption processes of reaction intermediates for alkaline hydrogen evolution(HER)catalysts are still con-fusing to understand.Here,we report a series of A-site ordered quadruple perovskite ruthenium-based electrocatalysts ACu3Ru4O12(A=Na,Ca,Nd,and La),with the target sample SrCu3Ru4O12 exhibiting a very low overpotential(46 mV@10 mA·cm-2)and excellent catalytic stability with little decays after 48-h durability test.Precise tuning A-site cations can change the average valence state of Cu and Ru,thus the plot of HER activity versus the average Ru valence number shows a volcano-type relationship.Density functional theory indicates that the Ru 4d orbitals of SrCu3Ru4O12 possesses the most suitable d-band center position among the five samples,which might be the key parameter to determine the cat-alytic performance.Our work provides further insight into the discovering advanced,efficient hydrogen evolution catalysts through designing precise descriptor.
State Key Laboratory of Information Photonics and Optical Communications,School of Science,Beijing University of Posts and Telecommunications(BUPT),Beijing 100876,China
Center for High Pressure Science and Technology Advanced Research,Beijing 100193,China
College of Material Science and Engineering,Yanshan University,Qinhuangdao 066004,China
College of Material Science and Engineering,Liaoning Technical University,Fuxin 123000,China
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Ru-based electrocatalyst density functional theory descriptor quadruple perovskites hydrogen evolution reaction
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