MXene Quantum Dots/Copper Nanocomposites for Synergistically Enhanced N_(2)Electroreduction

作     者：Yonghua Cheng Xingchuan Li Peng Shen Yali Guo Ke Chu Yonghua Cheng;Xingchuan Li;Peng Shen;Yali Guo;Ke Chu

作者机构：School of Materials Science and EngineeringLanzhou Jiaotong UniversityLanzhou 730070China 

出 版 物：《Energy & Environmental Materials》 (能源与环境材料（英文）)

年 卷 期：2023年第6卷第1期

页      面：192-198页

核心收录：

学科分类：08[工学] 0805[工学-材料科学与工程（可授工学、理学学位）] 080502[工学-材料学] 

基　　金：This work is supported by the National Natural Science Foundation of China(51761024,52161025) Natural Sci-ence Foundation of Gansu Province(20JR10RA241,21JR1RA247) Longyuan Youth Innovative and Entrepreneurial Talents Project(17) the Foundation of A Hundred Youth Talents Training Program of Lanzhou Jiaotong University 

主　　题：density functional theory electrocatalytic nitrogen fixation heterostructure MXene quantum dots 

摘      要：Electrocatalytic N_(2) reduction reaction(NRR)represents an appealing solution for sustainable ammonia production,whereas exploring high-efficiency NRR catalysts is highly desired but extremely ***,we combine Ti_(3) C_(2)T_(x)-MXene quantum dots(MQDs)with porous Cu nanosheets to design a novel heterostructured MQDs/Cu as an effective and durable NRR ***,MQDs/Cu showed a synergistically enhanced NRR activity with an NH_(3) yield of 78.5 lg h^(-1) mg^(-1)(-0.5 V)and a Faradaic efficiency of 21.3%(-0.4 V),far superior to pure MQDs and Cu,and outperforming the majority of the state-of-the-art NRR *** function theory computations demonstrated that the synergy of MQDs and Cu enabled the creation of interfacial Cu-Ti dimer as dual-active-centers to strongly activate the absorbed N 2 and promote the*N_(2)H formation,consequently resulting in the much reduced energy barriers and greatly enhanced NRR performance.