Conductivity of carbon-based molecular junctions from <i>ab-initio</i> methods

doi:10.1007/s11467-014-0424-2

Front. Phys.

2014, Vol. 9

Issue (6) : 748-759 https://doi.org/10.1007/s11467-014-0424-2

REVIEW ARTICLE

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

Xiao-Fei Li¹, Yi Luo^2,³(

)

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

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Abstract

Carbon nanomaterials (CNMs) are prompting candidates for 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-initio methods. CNMs used as nanoelectrodes and molecular materials in molecular junctions are discussed. The functionalities that include the nanomechanically controlled molecular conductance switches, negative differential resistance devices, and electronic rectifiers realized by using CNMs have been demonstrated.

Keywords carbon nanotubes graphene all-carbon nanodevice quantum transport ab-initiomolecular dynamics simulations

Corresponding Author(s): Yi Luo

Issue Date: 24 December 2014

Cite this article:

Xiao-Fei Li,Yi Luo. Conductivity of carbon-based molecular junctions from ab-initio methods[J]. Front. Phys. , 2014, 9(6): 748-759.

URL:

https://academic.hep.com.cn/fop/EN/10.1007/s11467-014-0424-2
https://academic.hep.com.cn/fop/EN/Y2014/V9/I6/748

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