Spin‐sensitive multifunctional devices based on lateral graphene/ MoS ₂ heterostructures

Abstract Using first‐principles calculations and quantum transport simulations, we simulated multifunctional devices based on lateral graphene/MoS ₂ heterostructures, including rectifiers, spin filters, and optoelectronic devices. We investigated the effects of doping, bias voltage, gate voltage, and interface configurations on the device performance. We considered two types of lateral graphene/MoS ₂ heterostructures, with graphene connected to either the S edge (C‐S) or Mo edge (C‐Mo) of the MoS ₂ . Our calculations show magnetic coupling at the graphene/MoS ₂ interfaces even though they are composed of non‐magnetic materials, which is consistent with previous theoretical studies. The spin polarization effects degraded the rectification ratios of the graphene/MoS ₂ rectifiers. However, n‐type doping of MoS ₂ could significantly enhance the rectification ratio of the C‐S device to 10 ⁵ and increase the current by an order of magnitude. The C‐Mo device was shown to be highly suitable for spin filter applications, with a spin current polarization ratio of almost 100% under bias and gate voltage modulation. For optoelectronic applications, both types of lateral graphene/MoS ₂ heterostructures exhibited high photocurrent peaks across the infrared, visible, and/or ultraviolet light regions, with a maximum photocurrent of 13 μA/mm ² and suitable bias and gate voltages. Our study reveals the magnetic multifunctional nature of lateral graphene/MoS ₂ heterostructure devices, and can serve as a theoretical guide for the design and modulation of high‐performance multifunctional devices based on two‐dimensional lateral heterostructures. image