Abstract
Metallic 1T′-MoS2 monolayers are predicted to be efficient hole injection contacts for nanoelectronic devices composed of 2H-MoS2 monolayers. The layer number can affect the physical properties of two-dimensional materials. In this paper, the dependence of the interfacial properties of 1T′/2H-MoS2 van der Waals (vdW) heterojunctions on the layer number was studied using density functional theory. The calculation results show that 1T′-MoS2 forms p-type contacts with 2H-MoS2, and the p-type Schottky barrier height (SBH) is between -75 and 30 meV and depends on the number of 1T′-/2H-MoS2 layers. Thus, the efficiency of 1T′-MoS2 as a hole injection contact for 2H-MoS2 can be tuned by the layer number. This work provides a method for tuning the contact-resistance in nanodevices composed of 2H-MoS2.
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