In-situ growth of CNTs encapsulating P-doped NiSe_(2) nanoparticles on carbon framework as efficient bifunctional electrocatalyst for overall water splitting

作     者：Jing Yu Wei-Jian Li Guibo Kao Cheng-Yan Xu Rongrong Chen Qi Liu Jingyuan Liu Hongsen Zhang Jun Wang Jing Yu;Wei-Jian Li;Guibo Kao;Cheng-Yan Xu;Rongrong Chen;Qi Liu;Jingyuan Liu;Hongsen Zhang;Jun Wang

作者机构：Key Laboratory of Superlight Materials and Surface TechnologyMinistry of EducationCollege of Materials Science and Chemical EngineeringHarbin Engineering UniversityHarbin 150001China School of Materials Science and EngineeringHarbin Institute of TechnologyHarbin 150001China College of Nuclear Equipment and Nuclear EngineeringYantai UniversityYantai 264005China 

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

年 卷 期：2021年第30卷第9期

页      面：111-120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：supported by the National Natural Science Foundation of China (51901055) the Natural Science Foundation of Heilongjiang Province (LH2019E025) the Fundamental Research Funds of the Central University, the Shenzhen Science and Technology Innovation Committee (JCYJ20200109113212238) the China Postdoctoral Science Foundation (Grant nos. 2019M651260, 2020T130139) the Heilongjiang Postdoctoral Fund (LBH-Z19009) the Heilongjiang Touyan Innovation Team Program 

主　　题：Electrocatalyst NiSe_(2) Doping Water splitting DFT calculations 

摘      要：Nickel diselenide(NiSe_(2)) is a promising low-cost catalyst for both hydrogen evolution reaction(HER) and oxygen evolution reaction(OER),due to its suitable d-electron configuration and high electrical *** representative elements,e.g.,Co,Fe and P,have been utilized as cation or anion to promote the electrocatalytic activity of NiSe_(2) by modulating the interaction with Se element,whilst the catalyst stability is less *** this work,the catalytic Ni nanoparticles were in-situ encapsulated in carbon nanotubes grown on three-dimensional conducting carbon *** phosphorization and selenization yield dispersed P-doped NiSe_(2) nanoparticles protected by carbon shell with highly exposed yet stable active sides,resulting in significantly promoted HER and OER activities as well as accelerated *** detail,the P-NiSe_(2)@N-CNTs/NC hybrid catalyst deliver low overpotentials of 95 and 306 mV at10 mA cm^(-2) for HER and OER in alkaline media,*** calculations reveal that P doping reduces the electron density surrounding Ni atoms while accumulates the charges to Se, respectively,which in turn reduces the energy barriers for both water dissociation and intermediates adsorption for both HER and *** a concept of proof,a cell assembled by P-NiSe_(2)@N-CNTs/NC hybrid catalystbased anode and cathode performs a low applied voltage of 1.609 V to reach 10 mA cm^(-2),and outstanding long-term stability.