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

1D/2D hybrid Te/Graphene and Te/MoS2: multifaceted broadband photonics and green energy applications