Vacancy engineering of oxidized Nb_(2)CTx MXenes for a biased nitrogen fixation

作     者：Mengzhao Zhang Hanqing Yin Fuhao Jin Jingquan Liu Xuqiang Ji Aijun Du Wenrong Yang Zhen Liu Mengzhao Zhang;Hanqing Yin;Fuhao Jin;Jingquan Liu;Xuqiang Ji;Aijun Du;Wenrong Yang;Zhen Liu

作者机构：College of Materials Science and EngineeringInstitute for Graphene Applied Technology InnovationQingdao University308 Ningxia RoadQingdao266071China School of Chemistry and Physics and Centre for Materials ScienceQueensland University of TechnologyGardens Point CampusBrisbane4001Australia School of Life and Environmental SciencesDeakin University75 Pigdons RoadGeelongVIC 3216Australia 

出 版 物：《Green Energy & Environment》 (绿色能源与环境（英文版）)

年 卷 期：2023年第8卷第4期

页      面：1185-1194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）] 0703[理学-化学] 

基　　金：financially supported by China Postdoctoral Science Foundation (2019M652305) Qingdao Postdoctoral Application Research Project 

主　　题：Nitrogen reduction reaction Nb-based MXenes Oxygen vacancy Vacancy engineering Electrocatalysis 

摘      要：The artificial nitrogen(N_(2)) reduction reaction(NRR) via electrocatalysis is a newly developed methodology to produce ammonia(NH3) at ambient conditions,but faces the challenges in N_(2)activation and poor reaction ***,Nb-based MXenes are developed to remarkably enhance the NRR activity through the engineering of the stretched 3D structure and oxygen vacancies(VO).The theoretical studies indicate that N_(2)could be initially adsorbed on VOwith an end-on configuration,and the potential determining step might be the first hydrogenation *** catalysts achieve an NH3production rate of 29.1 μg h^(-1)mg_(cat)^(-1)and excellent Faradic efficiency of 11.5%,surpassing other Nbbased *** selectivity of NRR is assigned to the unique structure of the catalysts,including(1) the layered graphitic structure for fast electron transfer and active site distribution,(2) the reactive VOfor N_(2)adsorption and activation,and(3) the expanded interlayer space for mass transfer.