Opening of Band Gap of Graphene with High Electronic Mobility by Codoping BN Pairs

作     者：REN Xiangyang XIA Sha ZHANG Zhiguo MENG Xing YU Hongmei WU Qi ZHANG Wenyi LI Aiwu YANG Han 

作者机构：State Key Laboratory of Integrated OptoelectronicsCollege of Electronic Science and EngineeringJilin UniversityChangchun 130012P.R.China Shenyang Acadamy of Instrumentation Science Co.Ltd.Shenyang 110043P.R.China College of PhysicsJilin UniversityChangchun 130012P.R.China College of Computer Science and TechnologyJilin UniversityChangchun 130012P.R.China Systems Engineering Research InstituteBeijing 100036P.R.China 

出 版 物：《Chemical Research in Chinese Universities》 (高等学校化学研究（英文版）)

年 卷 期：2019年第35卷第6期

页      面：1058-1061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：Supported by the National Key Research and Development Program of China(No.2017YFB1104300) the National Natural Science Foundation of China(No.11874171) the Fund of the High-performance Computing Center(HPCC)of Jilin University,China 

主　　题：First-principle calculation Doping Optoeletronic property Mobility 

摘      要：Two-dimensional(2D)materials with a high density and low power consumption have become the most popular candidates for next-generation semiconductor electronic *** a prototype 2D material,graphene has attracted much attention owing to its stability and ultrahigh ***,zero band gap of graphene leads to very low on-off ratios and thus limits its applications in electronic devices,such as *** some new 2D materials and doped graphene have nonzero band gaps,the electronic mobility is *** this study,to open the band gap of graphene with high electronic mobility,the structure and property of BN-doped graphene were evaluated using first-principles *** formation energies indicate that the six-membered BN rings doped graphene has the most favorable *** band structures show that the band gaps can be opened by such type of ***,the Dirac-cone-like band dispersion of graphene is mostly inhibited,ensuring high electronic ***,codoping BN into graphene might provide 2D materials with nonzero band gaps and high electronic mobility.