CO adsorption on metal doped 2D InSe:Mechanism and application

作     者：Chenxu Zhao Wang Gao Qing Jiang 

作者机构：Key Laboratory of Automobile MaterialsMinistry of EducationDepartment of Materials Science and EngineeringJilin University 

出 版 物：《Progress in Natural Science:Materials International》 (自然科学进展·国际材料(英文))

年 卷 期：2019年第29卷第3期

页      面：305-309页

核心收录：

学科分类：07[理学] 070304[理学-物理化学(含∶化学物理)] 0805[工学-材料科学与工程（可授工学、理学学位）] 0703[理学-化学] 070301[理学-无机化学] 0702[理学-物理学] 

基　　金：support from the Program of the Thousand Young Talents Plan the National Natural Science Foundation of China (Nos. 21673095, 51631004) the Program of Innovative Research Team (in Science and Technology) in University of Jilin Province the Program for JLU (Jilin University) Science and Technology Innovative Research Team (No. 2017TD-09) the Fundamental Research Funds for the Central Universities the computing resources of the High Performance Computing Center of Jilin University 

主　　题：Se CO adsorption on metal doped 2D InSe:Mechanism and application 

摘      要：A novel-type material based on metal doped 2D InSe (M@2DInSe) has been proposed for CO sensing.The results reveal that the conventional Blyholder mechanism can be applicable to M@2DInSe systems,and the charge transfer between CO and M@2DInSe can serve as an effective measurement for the adsorption energy of CO.In M@2DInSe,the response of electronic structures towards CO adsorption is also strongly correlated with the adsorption energy of CO,demonstrating an apparent metal-to-insulator transition for Fe@2DInSe and Mo@2DInSe under the influence of CO adsorption.These findings provide a new material-design scheme to detect CO molecules and promising candidates for further experimental studies.