The 81st JSAP Autumn Meeting, 2020

Presentation information

Oral presentation

17 Nanocarbon Technology » 17.1 Carbon nanotubes & other nanocarbon materials

[11a-Z28-1~16] 17.1 Carbon nanotubes & other nanocarbon materials

Fri. Sep 11, 2020 8:30 AM - 12:45 PM Z28

Toshiya Okazaki(AIST)

12:00 PM - 12:15 PM

[11a-Z28-14] Band gap crossover of single walled MoS2 nanotubes

〇(DC)Kaoru Hisama1, Mina Maruyama2, Susumu Okada2, Shohei Chiashi1, Shigeo Maruyama1 (1.The Univ. of Tokyo, 2.Univ. of Tsukuba)

Keywords:nanotube, Molybdenum disulfied, density functional theory

MoS2 can form tubular structure as the case of CNT. In contrast to CNT, MoS2 nanotubes are semiconductor with indirect gap, irrespective of their chirality, except the zigzag nanotubes, owing to the strain effect. However, in this work, using the density functional theory, we demonstrate that the indirect-direct bandgap crossover occurs with increasing the diameter of MoS2NT.