Conductivity of carbon-based molecular junctions from ab-initio methods

作     者：Xiao-Fei Li Yi Luo 

作者机构：School of Optoelectronic Information University of Electronic Science and Technology of China Chengdu 610054 China Hefei National Laboratory for Physical Sciences at the Microscale University of Science and Technology of China Hefei 230026 China KTH Royal Institute of Technology School of Biotechnology Division of Theoretical Chemistry and Biology S-106 91 Stockholm Sweden 

出 版 物：《Frontiers of physics》 (物理学前沿（英文版）)

年 卷 期：2014年第9卷第6期

页      面：748-759页

核心收录：

学科分类：080903[工学-微电子学与固体电子学] 0809[工学-电子科学与技术（可授工学、理学学位）] 07[理学] 08[工学] 080501[工学-材料物理与化学] 070203[理学-原子与分子物理] 0805[工学-材料科学与工程（可授工学、理学学位）] 080502[工学-材料学] 0702[理学-物理学] 

基　　金：supports by the Major State Basic Research Development Programs 国家自然科学基金 国家教育部高等学校博士学科点专项科研基金 

主　　题：carbon nanotubes graphene all-carbon nanodevice quantum transport ab-initio molecular dynamics simulations 

摘      要：Carbon nanomaterials （CNMs） are prompting candidates tor next generational electronics. In this review we provide a mini overview of recent results on the conductivity of carbon-based molecular junctions obtained from ab-mitio methods. CNMs used as nanoelectrodes and molecular materials in molecular junctions are discussed. The flmctionalities that include the nanomechanically controlled molecular conductance switches, negative differential resistance devices, and electronic rectifiers realized by using CNMs have been demonstrated.