Tunable band gaps and optical absorption properties of bent MoS2 nanoribbons

Tang, Hong; Neupane, Bimal; Neupane, Santosh; Ruan, Shiqi; Nepal, Niraj K.; Ruzsinszky, Adrienn

doi:10.1038/s41598-022-06741-3

Title: Tunable band gaps and optical absorption properties of bent MoS2 nanoribbons

Journal Article · Tue Feb 22 00:00:00 EST 2022 · Scientific Reports

DOI:https://doi.org/10.1038/s41598-022-06741-3· OSTI ID:1846063

Tang, Hong; Neupane, Bimal; Neupane, Santosh; Ruan, Shiqi; Nepal, Niraj K.; Ruzsinszky, Adrienn

Abstract The large tunability of band gaps and optical absorptions of armchair MoS ₂ nanoribbons of different widths under bending is studied using density functional theory and many-body perturbation GW and Bethe–Salpeter equation approaches. We find that there are three critical bending curvatures, and the non-edge and edge band gaps generally show a non-monotonic trend with bending. The non-degenerate edge gap splits show an oscillating feature with ribbon width n , with a period $$$$\Delta n=3$$$$ $Δ n = 3$ , due to quantum confinement effects. The complex strain patterns on the bent nanoribbons control the varying features of band structures and band gaps that result in varying exciton formations and optical properties. The binding energy and the spin singlet–triplet split of the exciton forming the lowest absorption peak generally decrease with bending curvatures. The large tunability of optical properties of bent MoS ₂ nanoribbons is promising and will find applications in tunable optoelectronic nanodevices.

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Research Organization:: Temple Univ., Philadelphia, PA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0021263; AC02-05CH11231

OSTI ID:: 1846063

Alternate ID(s):: OSTI ID: 1865826

Journal Information:: Scientific Reports, Journal Name: Scientific Reports Vol. 12 Journal Issue: 1; ISSN 2045-2322

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United Kingdom

Language:: English

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Title: Tunable band gaps and optical absorption properties of bent MoS2 nanoribbons

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