Electronic and transport properties of V-shaped defect zigzag MoS2 nanoribbons

doi:10.1088/1674-1056/23/4/047307

Abstract Based on the nonequilibrium Green's function (NEGF) in combination with density functional theory (DFT) calculations, we study the electronic structures and transport properties of zigzag MoS₂ nanoribbons (ZMNRs) with V-shaped vacancy defects on the edge. The vacancy formation energy results show that the zigzag vacancy is easier to create on the edge of ZMNR than the armchair vacancy. Both of the defects can make the electronic band structures of ZMNRs change from metal to semiconductor. The calculations of electronic transport properties depict that the currents drop off clearly and rectification ratios increase in the defected systems. These effects would open up possibilities for their applications in novel nanoelectronic devices.

Keywords: transport property zigzag MoS₂ nanoribbons V-shaped defect first-principles

Received: 09 August 2013
Revised: 10 September 2013
Accepted manuscript online:

PACS:	73.63.-b	(Electronic transport in nanoscale materials and structures)
	73.23.-b	(Electronic transport in mesoscopic systems)

Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 21103232, 51272291, and 11174371).

Corresponding Authors: Long Meng-Qiu, Xu Hui
E-mail: mqlong@csu.edu.cn;cmpxhg@csu.edu.cn

About author: 73.63.-b; 73.23.-b

Cite this article:

Li Xin-Mei (李新梅), Long Meng-Qiu (龙孟秋), Cui Li-Ling (崔丽玲), Xiao Jin (肖金), Xu Hui (徐慧) Electronic and transport properties of V-shaped defect zigzag MoS₂ nanoribbons 2014 Chin. Phys. B 23 047307

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Electronic and transport properties of V-shaped defect zigzag MoS2 nanoribbons

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Electronic and transport properties of V-shaped defect zigzag MoS₂ nanoribbons