Synthesis of Ultrahigh‐Quality Monolayer Molybdenum Disulfide through In Situ Defect Healing with Thiol Molecules
Simin Feng, Junyang Tan, Shilong Zhao, Shuqing Zhang, Usman Khan, Lei Tang, Xiaolong Zou, Junhao Lin, Hui–Ming Cheng, Bilu Liu
Abstract
Abstract Monolayer transition metal dichalcogenides are 2D materials with many potential applications. Chemical vapor deposition (CVD) is a promising method to synthesize these materials. However, CVD‐grown materials generally have poorer quality than mechanically exfoliated ones and contain more defects due to the difficulties in controlling precursors' distribution and concentration during growth where solid precursors are used. Here, thiol is proposed to be used as a liquid precursor for CVD growth of high quality and uniform 2D MoS 2 . Atomic‐resolved structure characterizations indicate that the concentration of sulfur vacancies in the MoS 2 grown from thiol is the lowest among all reported CVD samples. Low temperature spectroscopic characterization further reveals the ultrahigh optical quality of the grown MoS 2 . Density functional theory simulations indicate that thiol molecules could interact with sulfur vacancies in MoS 2 and repair these defects during the growth of MoS 2 , resulting in high‐quality MoS 2 . This work provides a facile and controllable method for the growth of high‐quality 2D materials with ultralow sulfur vacancies and high optical quality, which will benefit their optoelectronic applications.