Maji, TK and Vaibhav, K and Delin, A and Eriksson, O and Karmakar, D (2022) 1D/2D Hybrid Te/Graphene and Te/MoS2: Multifaceted Broadband Photonics and Green-Energy Applications. In: ACS Applied Materials and Interfaces, 14 (45). pp. 51449-51458.
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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.
| Item Type: | Journal Article |
|---|---|
| Publication: | ACS Applied Materials and Interfaces |
| Publisher: | American Chemical Society |
| Additional Information: | The copyright for this article belongs to the Authors. |
| Keywords: | Absorption spectroscopy; Electronic structure; Energy gap; Energy harvesting; Graphene; Nanorods; Tellurium; Tellurium compounds, 1d/2d heterojunction; Energy applications; Functionalizations; Green energy; IR detection; One-dimensional; Optical-; TDDFT; Tellurium nanorod; Two-dimensional, Heterojunctions |
| Department/Centre: | Division of Physical & Mathematical Sciences > Physics |
| Date Deposited: | 30 Dec 2022 10:14 |
| Last Modified: | 30 Dec 2022 10:14 |
| URI: | https://eprints.iisc.ac.in/id/eprint/78641 |
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