Enhanced reconstruction of Fe_(5)Ni_(4)S_(8) by implanting pyrrolidone to unlock efficient oxygen evolution

作     者：Zhengyan Du Zeshuo Meng Chao Jiang Chenxu Zhang Yanan Cui Yaxin Li Chong Wang Xiaoying Hu Shansheng Yu Hongwei Tian Zhengyan Du;Zeshuo Meng;Chao Jiang;Chenxu Zhang;Yanan Cui;Yaxin Li;Chong Wang;Xiaoying Hu;Shansheng Yu;Hongwei Tian

作者机构：Key Laboratory of Automobile Materials of MOESchool of Materials Science and EngineeringJilin UniversityChangchun 130012JilinChina College of Science and Laboratory of Materials Design and Quantum SimulationChangchun UniversityChangchun 130022JilinChina 

出 版 物：《Journal of Energy Chemistry》 (能源化学（英文版）)

年 卷 期：2023年第84卷第9期

页      面：112-121页

核心收录：

学科分类：081702[工学-化学工艺] 081705[工学-工业催化] 08[工学] 0817[工学-化学工程与技术] 080502[工学-材料学] 0805[工学-材料科学与工程（可授工学、理学学位）] 

基　　金：financially supported by the Scientific and Technological Development Program of Jilin Province (20220201138GX) 

主　　题：Pentlandite Oxygen evolution reaction Reconstruction ability Catalytic kinetics 

摘      要：During oxygen evolution reaction(OER),complex changes have been reported on surfaces of bimetallic Fe-Ni-based catalysts,and regulating the dynamic evolution could improve their electrocatalytic ***,a pyrrolidone-promoted reconstruction of pentlandite was investigated to uncover the correlation between the reconstructed surface and the OER *** theoretical calculations indicated the preferential implantation of pyrrolidone at Fe atoms,useful for regulating the electronic structures of *** vale nce state of Ni increased,suggesting the promotion of the in-situ reconstruction of pentlandite via strengthening hydroxyl adsorption to generate highly active *** electron-rich pentlandite was also found conducive to charge transfer under applied *** Operando Raman and various quasi-in-situ characterizations confirmed the realization of more delocalized electronic structures of pentlandite by introducing ***,in turn,promoted the accumulation of hydroxyl groups on the pentlandite surface,thereby boosting the formation of highly active NiOOH at lower OER ***,the adsorption energies of intermediates were optimized,conducive to enhanced OER reaction *** a proof of concept,the pentlandite decorated by pyrrolidone exhibited an overpotential as low as 265 mV at 10 mA cm^(-2) coupled with stable catalysis for 1000 hours at a high current density of 100 mA cm^(-2).In sum,new insights into unlocking the high catalytic activity of bimetallic Fe-Ni-based catalysts were provided,promising for future synthesis of advanced catalysts.