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Two-dimensional Re S2: Solution to the unresolved queries on its structure and inter-layer coupling leading to potential optical applications

Gadde, JR and Karmakar, A and Maji, TK and Mukherjee, S and Alexander, R and Sharma, AMR and Das, S and Mandal, A and Dasgupta, K and Naik, A and Majumdar, K and Hawaldar, R and Adarsh, KV and Ray, SK and Karmakar, D (2021) Two-dimensional Re S2: Solution to the unresolved queries on its structure and inter-layer coupling leading to potential optical applications. In: Physical Review Materials, 5 (5).

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Official URL: https://doi.org/10.1103/PhysRevMaterials.5.054006


Over the last few years, ReS2 has generated a myriad of unattended queries regarding its structure, the concomitant thickness-dependent electronic properties, and its apparently contrasting experimental optical response. In this paper, with elaborate first-principles investigations, using density functional theory (DFT) and time-dependent DFT, we identify the structure of ReS2, which is capable of reproducing and analyzing the layer-dependent optical response. The theoretical results are further validated by an in-depth structural, chemical, optical, and optoelectronic analysis of the large-area ReS2 thin films, grown by the chemical vapor deposition (CVD) process. Micro-Raman, x-ray photoelectron spectroscopy, cross-sectional transmission electron microscopy, and energy-dispersive x-ray analysis have enabled the optimization of the uniform growth of the CVD films. The correlation between the optical and electronic properties was established by static photoluminescence and excited state transient absorption measurements. Sulfur vacancy-induced localized mid-gap states render a significantly long lifetime of the excitons in these films. The ionic gel top-gated photodetectors, fabricated from the as-prepared CVD films, exhibit a large photo-response of �5 A/W and a remarkable detectivity of �1011 Jones. The outcome of this paper will be useful in promoting the application of vertically grown large-area films in the field of optics and opto-electronics. © 2021 American Physical Society.

Item Type: Journal Article
Publication: Physical Review Materials
Publisher: American Physical Society
Additional Information: The copyright for this article belongs to Authors
Keywords: Chemical analysis; Chemical vapor deposition; Density functional theory; Electronic properties; Energy dispersive X ray analysis; Excited states; High resolution transmission electron microscopy; Optical correlation; Rhenium compounds; Thin films; X ray diffraction analysis; X ray photoelectron spectroscopy, Chemical vapor depositions (CVD); Cross sectional transmission electron microscopy; First-principles investigations; Optical and electronic properties; Optical applications; Sulfur vacancies; Time-dependent DFT; Transient absorption measurements, Sulfur compounds
Department/Centre: Division of Electrical Sciences > Electrical Communication Engineering
Division of Interdisciplinary Sciences > Centre for Nano Science and Engineering
Date Deposited: 26 Aug 2021 06:04
Last Modified: 26 Aug 2021 06:04
URI: http://eprints.iisc.ac.in/id/eprint/69340

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