US EPA

4834386 

Journal Article 

Theoretical study on electronic properties of MoS2 antidot lattices 

Shao, Li; Chen, G; Ye, H; Wu, Y; Niu, H; Zhu, Y 

2014 

Yes 

Journal of Applied Physics
ISSN: 0021-8979
EISSN: 1089-7550 

116 

11 

10.1063/1.4896064 

WOS:000342837000022 

Motivated by the state of the art method for etching hexagonal array holes in molybdenum disulfide (MoS2), the electronic properties of MoS2 antidot lattices (MoS(2)ALs) with zigzag edge were studied with first-principles calculations. Monolayer MoS(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(2)ALs and chemical adsorbed MoS(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 MoS2 can develop a promising technique for engineering nano materials and offer new opportunities for designing MoS2-based nanoscale electronic devices and chemical sensors. (C) 2014 AIP Publishing LLC.