1D/2D Hybrid Te/Graphene and Te/MoS2: Multifaceted Broadband Photonics and Green-Energy Applications

Tuhin Kumar Maji, Kumar Vaibhav, Anna Delin, Olle Eriksson, Debjani Karmakar

Research output: Contribution to journalArticlepeer-review

Abstract

We highlight the enhanced electronic and optical functionalization in the hybrid heterojunction of one-dimensional (1D) tellurene with a two-dimensional (2D) monolayer of graphene and MoS2 in both lateral and vertical geometries. The structural configurations of these assemblies are optimized with a comparative analysis of the energetics for different positional placements of the 1D system with respect to the hexagonal 2D substrate. The 1D/2D coupling of the electronic structure in this unique assembly enables the realization of the three different types of heterojunctions, viz. type I, type II, and Z-scheme. The interaction with 1D tellurene enables the opening of a band gap of the order of hundreds of meV in 2D graphene for both lateral and vertical geometries. With both static and time-dependent first-principles analysis, we indicate their potential applications in broadband photodetection and absorption, covering a wide range of visible to infrared (near-IR to mid-IR) spectrum from 380 to 10 »000 nm. We indicate that this 1D/2D assembly also has bright prospects in green-energy harvesting.

Original languageEnglish (US)
Pages (from-to)51449-51458
Number of pages10
JournalACS Applied Materials and Interfaces
Volume14
Issue number45
DOIs
StatePublished - Nov 16 2022

Keywords

  • 1D/2D heterojunction
  • energy harvesting
  • IR detection
  • TDDFT
  • tellurium nanorod

ASJC Scopus subject areas

  • Materials Science(all)

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