From Layers to Nanotubes: Transition Metal Disulfides TMS2

Abstract

MoS2 and WS2 layered transition-metal dichalcogenides are indirect band gap semiconductors in their bulk forms. Thinned to a monolayer, they undergo a transition and become direct band gap materials. Layered structures of that kind can be folded to form nanotubes. We present here the electronic structure comparison between bulk, monolayered and tubular forms of transition metal disulfides using first-principle calculations. Our results show that armchair nanotubes remain indirect gap semiconductors, similar to the bulk system, while the zigzag nanotubes, like a monolayer, are direct gap materials, what suggests interesting potential applications in optoelectronics.

published in EPJ B, 9 pages, 8 figures

References in corpus (2)

• Visibility of dichalcogenide nanolayers
• Ab initio study of bilateral doping within the MoS2-NbS2 system

Cited by in corpus (4)

• Photoluminescence from Single-Walled MoS${}_2$ Nanotubes Coaxially Grown on Boron Nitride Nanotubes
• Torsional strain engineering of transition metal dichalcogenide nanotubes: An ab initio study
• Understanding the large shift photocurrent of WS${}_2$ nanotubes: A comparative analysis with monolayers
• Finger-gate manipulated quantum transport in Dirac materials