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Title: Theoretical study on electronic properties of MoS{sub 2} antidot lattices

Abstract

Motivated by the state of the art method for etching hexagonal array holes in molybdenum disulfide (MoS{sub 2}), the electronic properties of MoS{sub 2} antidot lattices (MoS{sub 2}ALs) with zigzag edge were studied with first-principles calculations. Monolayer MoS{sub 2}ALs are semiconducting and the band gaps converge to constant values as the supercell area increases, which can be attributed to the edge effect. Multilayer MoS{sub 2}ALs and chemical adsorbed MoS{sub 2}ALs by F atoms show metallic behavior, while the structure adsorbed with H atoms remains to be semiconducting with a tiny bandgap. Our results show that forming periodically repeating structures in MoS{sub 2} can develop a promising technique for engineering nano materials and offer new opportunities for designing MoS{sub 2}-based nanoscale electronic devices and chemical sensors.

Authors:
; ; ; ; ;  [1]
  1. Department of Applied Physics and the MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter, Xi'an Jiaotong University, Xi'an, Shaanxi 710049 (China)
Publication Date:
OSTI Identifier:
22305996
Resource Type:
Journal Article
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 116; Journal Issue: 11; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-8979
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ATOMS; COMPUTERIZED SIMULATION; ELECTRICAL PROPERTIES; ELECTRONIC EQUIPMENT; ETCHING; HOLES; LAYERS; MOLYBDENUM SULFIDES; NANOSTRUCTURES; PERIODICITY; SENSORS

Citation Formats

Shao, Li, Chen, Guangde, Ye, Honggang, E-mail: hgye@mail.xjtu.edu.cn, Wu, Yelong, Niu, Haibo, and Zhu, Youzhang. Theoretical study on electronic properties of MoS{sub 2} antidot lattices. United States: N. p., 2014. Web. doi:10.1063/1.4896064.
Shao, Li, Chen, Guangde, Ye, Honggang, E-mail: hgye@mail.xjtu.edu.cn, Wu, Yelong, Niu, Haibo, & Zhu, Youzhang. Theoretical study on electronic properties of MoS{sub 2} antidot lattices. United States. doi:10.1063/1.4896064.
Shao, Li, Chen, Guangde, Ye, Honggang, E-mail: hgye@mail.xjtu.edu.cn, Wu, Yelong, Niu, Haibo, and Zhu, Youzhang. Sun . "Theoretical study on electronic properties of MoS{sub 2} antidot lattices". United States. doi:10.1063/1.4896064.
@article{osti_22305996,
title = {Theoretical study on electronic properties of MoS{sub 2} antidot lattices},
author = {Shao, Li and Chen, Guangde and Ye, Honggang, E-mail: hgye@mail.xjtu.edu.cn and Wu, Yelong and Niu, Haibo and Zhu, Youzhang},
abstractNote = {Motivated by the state of the art method for etching hexagonal array holes in molybdenum disulfide (MoS{sub 2}), the electronic properties of MoS{sub 2} antidot lattices (MoS{sub 2}ALs) with zigzag edge were studied with first-principles calculations. Monolayer MoS{sub 2}ALs are semiconducting and the band gaps converge to constant values as the supercell area increases, which can be attributed to the edge effect. Multilayer MoS{sub 2}ALs and chemical adsorbed MoS{sub 2}ALs by F atoms show metallic behavior, while the structure adsorbed with H atoms remains to be semiconducting with a tiny bandgap. Our results show that forming periodically repeating structures in MoS{sub 2} can develop a promising technique for engineering nano materials and offer new opportunities for designing MoS{sub 2}-based nanoscale electronic devices and chemical sensors.},
doi = {10.1063/1.4896064},
journal = {Journal of Applied Physics},
issn = {0021-8979},
number = 11,
volume = 116,
place = {United States},
year = {2014},
month = {9}
}