• 文献标题:   1D/2D Hybrid Te/Graphene and Te/MoS2: Multifaceted Broadband Photonics and Green
  • 文献类型:   Article, Early Access
  • 作  者:   MAJI TK, VAIBHAV K, DELIN A, ERIKSSON O, KARMAKAR D
  • 作者关键词:   ir detection, 1d, 2d heterojunction, tddft, energy harvesting, tellurium
  • 出版物名称:   ACS APPLIED MATERIALS INTERFACES
  • ISSN:   1944-8244 EI 1944-8252
  • 通讯作者地址:  
  • 被引频次:   0
  • DOI:   10.1021/acsami.2c13198 EA NOV 2022
  • 出版年:   2022

▎ 摘  要

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.