https://doi.org/10.1140/epjb/e2011-20442-1
Regular Article
From layers to nanotubes: Transition metal disulfides TMS2
School of Engineering and Science, Jacobs University
Bremen, Campus Ring
1, 28759
Bremen,
Germany
a e-mail: a.kuc@jacobs-university.de
Received:
8
June
2011
Received in final form:
8
December
2011
Published online:
30
January
2012
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 monolayers, are direct gap materials, what suggests interesting potential applications in optoelectronics.
Key words: Topical issue: From photophysics to optoelectronics of zero- and one-dimensional nanomaterials
© EDP Sciences, Società Italiana di Fisica and Springer-Verlag, 2012