Modulating electronic structure of nickel diselenide by vanadium doping toward highly efficient and stable bifunctional electrocatalysts for overall water splitting  

作　　者：Miaomiao Bai Taotao Ai Weiwei Bao Jie Han Junjun Zhang Qi Yu Jiangying Liu Xueling Wei Xiangyu Zou Liangliang Feng 

机构地区：[1]National and Local Joint Engineering Laboratory for Slag Comprehensive Utilization and Environmental Technology,School of Materials Science and Engineering,Shaanxi University of Technology,Hanzhong 723000,China [2]State Key Laboratory of High-efficiency Utilization of Coal and Green Chemical Engineering,College of Chemistry&Chemical Engineering,Ningxia University,Yinchuan 750021,China [3]School of Materials Science&Engineering,Shaanxi Key Laboratory of Green Preparation and Functionalization for Inorganic Materials,Shaanxi University of Science&Technology,Xi’an 710021,China

出　　处：《Journal of Materials Science & Technology》2024年第20期63-71,共9页材料科学技术（英文版）

基　　金：This research was supported by the National Natural Science Foundation of China(Grant Nos.21902123 and 22179074);the Natural Science Basic Research Program of Shaanxi(Program No.2023-JC-ZD-22).

摘　　要：Designing low-cost and high-efficiency bifunctional electrocatalysts is one of the challenges in the clean production of hydrogen energy in electrochemical water splitting.Transition metal selenides(TMSes)have been widely studied because of their low price,intrinsic metal properties,and high catalytic ac-tivity.In addition,the synergistic effect between bimetallic selenides exhibits better performance than monometallic selenides in the electrocatalytic process.Herein,we synthesized V-doped NiSe2 nanowire arrays on pretreated nickel foam by a convenient two-step hydrothermal synthesis method.In the al-kaline electrolyte,V-NiSe_(2)/NF exhibited excellent OER catalytic activity(293.6 mV@50 mA cm^(-2)).In ad-dition,the introduction of heteroatom V induces stronger electronic interactions between the structural atoms of the catalyst,altering the electronic structure and causing V-NiSe_(2)/NF to demonstrate excellent OER performance.In the long-term OER test,V-NiSe_(2)/NF was converted into NiOOH and SeO_(x)^(2-),which may be the“real”active species during catalytic reactions,and we also successfully captured the for-mation of intermediate NiOOH and selenite as active centers in the OER process through in-situ Raman.The theoretical calculation shows that the electron transfer modulates the electron structure,changes the adsorption-desorption energy of the reaction intermediates,reduces the potential barrier of the rate-limiting step,and improves the OER activity.The V doping engineering strategy and the unique nanowire array structure make TMSes exhibit excellent OER performance.This study provides a new idea for the design of TMSe catalysts with excellent electrocatalytic performance.

关 键 词：ELECTROCATALYSIS Oxygen evolution reaction Vanadium doping Overall water splitting In-situ Raman Density functional theory 

分 类 号：TB33[一般工业技术—材料科学与工程]