材料科学
光电效应
吸附
半导体
钽
过渡金属
磁矩
空位缺陷
金属
结晶学
化学物理
凝聚态物理
物理化学
光电子学
冶金
有机化学
化学
物理
催化作用
标识
DOI:10.1016/j.mtcomm.2023.107033
摘要
Transition disulfide metallides (TMDC), a unique class of two-dimensional materials, are essential to achieving the transition between semiconductors and metals. In this study, for the first time, a sulfur defect (VS) with a vacancy defect concentration of 3.84 % was introduced based on the material model, and (non-) metal atoms(H, B, N, C, O, F, Fe, Ag, Au, Pt) were adsorbed on the surface of the single-layer TaS2. The photoelectric and magnetic properties of TaS2 under the composite action were investigated. The findings indicate that TaS2 has superior adsorption capability in the defect state than standard semiconductors and that the structure distortion is more significant. After adsorbing some of the atoms, the metal TaS2 transforms into a semiconductor. Magnetic atoms can effectively increase the magnetic moment of TaS2 and strengthen the ferromagnetic coupling between atoms. After adsorption, the optical properties of TaS2 are significantly improved, and it can be effectively applied to infrared and visible light regions.
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