Phosphorus-doped Fe_(7)S_(8)@C nanowires for efficient electrochemical hydrogen and oxygen evolutions:Controlled synthesis and electronic modulation on active sites  

作　　者：Thanh-Tung Le Xiao Liu Peijun Xin Qing Wang Chunyan Gao Ye Wu Yongjiang Zhangjun Hu Shoushuang Huang Zhiwen Chen 

机构地区：[1]School of Environmental and Chemical Engineering,Shanghai University,Shanghai,200444,China [2]Department of Physics,Chemistry and Biology,Linkoping University,Linkoping,58183,Sweden

出　　处：《Journal of Materials Science & Technology》2021年第15期168-175,共8页材料科学技术（英文版）

基　　金：the National Natural Science Foundation of China(Nos.21601120 and 21805181);the Science and Technology Commission of Shanghai Municipality(Nos.17ZR1410500 and 19ZR1418100);the High Performance Computing Center of Shanghai University;Shanghai Engineering Research Center of Intelligent Computing System(No.19DZ2252600)for providing the computing resources and technical support。

摘　　要：Developing low-cost,efficient,and stable non-precious-metal electrocatalysts with controlled crystal structure,morphology and compositions are highly desirable for hydrogen and oxygen evolution reactions.Herein,a series of phosphorus-doped Fe_(7)S_(8)nanowires integrated within carbon(P-Fe_(7)S_(8)@C)are rationally synthesized via a one-step phosphorization of one-dimensional(1D)Fe-based organicinorganic nanowires.The as-obtained P-Fe_(7)S_(8)@C catalysts with modified electronic configurations present typical porous structure,providing plentiful active sites for rapid reaction kinetics.Density functional calculations demonstrate that the doping Fe_(7)S_(8)with P can effectively enhance the electron density of Fe_(7)S_(8)around the Fermi level and weaken the Fe-H bonding,leading to the decrease of adsorption free energy barrier on active sites.As a result,the optimal catalyst of P-Fe_(7)S_(8)-600@C exhibits a relatively low overpotential of 136 mV for hydrogen evolution reaction(HER)to reach the current density of 10 mA/cm^(2),and a significantly low overpotential of 210 mV for oxygen evolution reaction(OER)at 20 mA/cm^(2)in alkaline media.The work presented here may pave the way to design and synthesis of other prominent Fe-based catalysts for water splitting via electronic regulation.

关 键 词：Ron sulfide P-DOPING Hydrogen and oxygen evolution reaction ELECTROCATALYSIS 

分 类 号：TQ116.2[化学工程—无机化工] TQ426