We report a theoretical and experimental investigation of the hybrid heterostructure interfaces between atomically thin MoS2 nanocrystals (NCs) on Si platform for their potential applications towards next-generation electrical and optical devices. Mie theory-based numerical analysis and COMSOL simulations based on the finite element method have been utilized to study the optical absorption characteristics and light–matter interactions in variable-sized MoS2 NCs. The size-dependent absorption characteristics and the enhancement of electric field of the heterojunction in the UV-visible spectral range agree well with the experimental results. A lithography-free, wafer-scale, 2D material on a 3D substrate hybrid vertical heterostructure has been fabricated using colloidal n-MoS2 NCs on p-Si. The fabricated p-n heterojunction exhibited excellent junction characteristics with a high rectification ratio suitable for voltage clipper and rectifier applications. The current–voltage characteristics of the devices under illumination have been performed in the temperature range of 10–300 K. The device exhibits a high photo-to-dark current ratio of ∼3 × 103 and a responsivity comparable to a commercial Si photodetector. The excellent heterojunction characteristics demonstrate the great potential of MoS2 NC-based hybrid electronic and optoelectronic devices in the near future.
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