学术文献库

In this letter, we highlight the enhanced functionalization of the electronic and optical properties in the hybrid heterojunction of 1D Tellurene with 2D monolayer of Graphene and MoS2 in both lateral and vertical geometries, having potential applications in the field of photonics and energy harvesting. The structural geometries of the lateral and vertical assemblies are optimized with a comparative and systematic analysis of the energetics of the different positional placement of the 1D system with respect to the hexagonal 2D layer. The 1D/2D coupling of the electronic structure in this unique assembly enables the realization of the four different types of heterojunctions, viz. type I, type II, Z-scheme and Schottky type, with the band-alignments being entirely dependent upon the stacking geometry of 1D Tellurene with respect to the 2D monolayer. With the static and time-dependent first-principles calculations, we indicate the potential applications of these hybrid systems in broadband photo detection and absorption, covering the full range of Infra-red to visible (IR-Vis) spectrum and in green energy harvesting with an effective separation and migration of photo-generated charge carriers.