[14p-P4-1~78] 17 Nanocarbon Technology（Poster）

[14p-P4-60] First-Principles Study of Crystal Growth of MoS₂ cluster

〇katsuya okada¹, Hiroyuki Kageshima¹ (1.Shimane Univ.)

Keywords:Molybdenum disulfide, the first-principles calculation

Molybdenum disulfide (MoS₂) is a two dimensional semiconductor with the band gap. For the industrial use, crystal growth of MoS₂ is important. It has been experimentally reported that monolayer of MoS₂ grows by forming triangle shape. In this contribution, the mechanism in the initial stage of MoS₂ growth is theoretically studied by the first-principles calculation.