Optical, Electronic, and Contact Properties of Janus-MoSO/MoS2 Heterojunction,The Journal of Physical Chemistry C

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Optical, Electronic, and Contact Properties of Janus-MoSO/MoS2 Heterojunction
The Journal of Physical Chemistry C ( IF 3.3 ) Pub Date : 2020-06-30 , DOI: 10.1021/acs.jpcc.0c04042
Tao Wang _{1,

2} , Min Su ₂ , Hao Jin ₂ , Jianwei Li ₂ , Langhui Wan ₂ , Yadong Wei _{1,

2}

Affiliation

Although oxidization is usually believed to have a negative effect on material performance, oxygen atoms may play a special role in oxidized two-dimensional (2D) transition-metal dichalcogenides (TMDs). In this work, we systematically study the optical, electronic, and contact properties of Janus-MoSO/MoS₂ heterojunctions. Our results show that when a MoS₂ monolayer becomes a Janus-MoSO monolayer, a vertical intrinsic electric field appears because of the discrepancy of electronegativity between S and O atoms. If this oxidation process takes place in a bilayer MoS₂, an asymmetric heterojunction is formed. Janus-MoSO/MoS₂ shows type-II band alignment with an extremely small exciton binding energy, which facilitates the photoinduced electron and hole separation. In addition, when the electrode Au contacts with the bilayer MoS₂, a Schottky barrier is usually observed, whereas this barrier vanishes when Au contacts with Janus-MoSO/MoS₂, thus improving the device performance. We believe that the proposed structure based on Janus-MoSO may significantly improve the performance of TMD materials, which thereby guide the designing of two-dimensional nanodevices.

中文翻译：

Janus-MoSO / MoS ₂异质结的光学，电子和接触特性

尽管通常认为氧化会对材料性能产生负面影响，但是氧原子可能在氧化的二维（2D）过渡金属二卤化金属（TMD）中起特殊作用。在这项工作中，我们系统地研究了Janus-MoSO / MoS ₂异质结的光学，电子和接触特性。我们的结果表明，当MoS ₂单层变成Janus-MoSO单层时，由于S和O原子之间的电负性差异，会出现垂直固有电场。如果该氧化过程在双层MoS _2中进行，则会形成不对称的异质结。Janus-MoSO / MoS ₂图2显示了具有极小的激子结合能的II型能带排列，这有利于光致电子和空穴的分离。另外，当电极Au与双层MoS ₂接触时，通常观察到肖特基势垒，而当Au与Janus-MoSO / MoS ₂接触时该势垒消失，从而改善了器件性能。我们认为，基于Janus-MoSO的拟议结构可以显着提高TMD材料的性能，从而指导二维纳米器件的设计。

更新日期：2020-07-23

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