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

作　　者：Xiao-Fei Li Yi Luo 

机构地区：[1]School of Optoelectronic Information, University of Electronic Science and Technology of China, Chengdu 610054, China [2]Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei 230026, China [3]KTH, Royal Institute of Technology, School of Biotechnology, Division of Theoretical Chemistry and Biology, S-106 91 Stockholm, Sweden

出　　处：《Frontiers of physics》2014年第6期748-759,共12页物理学前沿（英文版）

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.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.

关 键 词：carbon nanotubes GRAPHENE all-carbon nanodevice quantum transport ab-initio molecular dynamics simulations 

分 类 号：TN304.21[电子电信—物理电子学] O561.2[理学—原子与分子物理]