Theoretically exploring the possible configurations,the electronic and transport properties of MoS2-OH bilayer |
| |
| Affiliation: | 1. School of Electronic and Information Engineering (Department of Physics), Qilu University of Technology (Shandong Academy of Sciences), 250353 Jinan, Shandong, PR China;2. Shandong Key Laboratory of Medical Physics and Image Processing, School of Physics and Electronics, Shandong Normal University, 250358 Jinan, Shandong, PR China |
| |
| Abstract: | Inspired by MoS2-OH bilayer framework (Zhu et al. 2019 [19]), first principles calculations are applied to explore its possible configurations as well as their electronic and transport properties. The calculated results indicate O-MoS2 and OH…O-MoS2 are two primary configuration in MoS2-OH bilayer. It shows negligible difference in electronic structure between O-MoS2 and pure MoS2, but a flat band arise at the Fermi level in OH…O-MoS2. Their contact characteristics show larger binding energy with selected metals and smaller contact barrier with Pt electrode. Besides, the currents of both O-MoS2 and OH…O-MoS2 are enlarged compared with that of pure MoS2 in finite bias, indicating MoS2-OH bilayer may be potential candidate for future electron device applications. |
| |
| Keywords: | First principles Electronic structure Contact barrier Electronic transport |
| 本文献已被 ScienceDirect 等数据库收录！ |
|
