Elucidating the promotion mechanism of the ternary cooperative heterostructure toward industrial-level urea oxidation catalysis

作     者：Xiujuan Xu Xiaotong Wei Liangliang Xu Minghua Huang Arafat Toghan Xiujuan Xu;Xiaotong Wei;Liangliang Xu;Minghua Huang;Arafat Toghan

作者机构：School of Materials Science and EngineeringOcean University of ChinaQingdao 266100ShandongChina Department of Chemical and Biomolecular EngineeringKorea Advanced Institute of Science and Technology(KAIST)291 Daehak-RoYuseong-GuDaejeon 34141Republic of Korea Chemistry DepartmentCollege of ScienceImam Mohammad Ibn Saud Islamic University(IMSIU)Riyadh 11623Saudi Arabia Chemistry DepartmentFaculty of ScienceSouth Valley UniversityQena 83523Egypt 

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

年 卷 期：2023年第85卷第10期

页      面：116-125,I0005页

核心收录：

学科分类：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：funding and supporting this work through Research Partnership Program(No.RP-21-09-75) 

主　　题：Urea oxidation reaction Ternary cooperative heterostructure Electronic structure Interface engineering 

摘      要：From the perspective of electronic structure modulation,it is highly desirable to rationally design the active urea oxidation reaction(UOR)catalysts through interface *** binary cooperative heterostructure systems have been shown significant enhancement for catalyzing UOR,but their performance still remains unsatisfactory for industrialization because of the unfavorable intermediate adsorption/desorption and deficient electron transfer *** response,taking the ternary cooperative Ni_5P_(4)/NiSe_(2)/Ni_(3)Se_(4) heterostructure as the proof-of-concept paradigm,a catalytic model is rationally put forward to elucidate the UOR promotion mechanism at the molecular *** rod-like Ni_5P_(4)/NiSe_(2)/Ni_(3)Se_(4) nanoarrays with three-phase heterojunction are experimentally fabricated on Ni foam(named as Ni_5P_(4)/NiSe_(2)/Ni_(3)Se_(4)/NF)via simple two-step *** density functional theory calculations disclose that construction of Ni_5P_(4)/NiSe_(2)/Ni_(3)Se_(4) heterostructure model not only induce charge redistribution at the interfacial region for creating innumerable electron transfer channels,but also endow it with a moderate d-band center that could help to build a balance between adsorption and desorption of diverse UOR *** from the unique rod-like nanoarrays with large specific surface area and the optimized electronic structure,the well-designed Ni_5P_(4)/NiSe_(2)/Ni_(3)Se_(4)/NF could act as a robust catalyst for driving UOR at industrial-level current densities under tough environments,offering great potential for commercial applications.