Tunable band gaps and optical absorption properties of bent MoS₂ nanoribbons.

ABSTRACT: The large tunability of band gaps and optical absorptions of armchair MoS₂ 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 [Formula: see text], 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 formin

SUBMITTER: Tang H 

PROVIDER: S-EPMC8863845 | biostudies-literature | 2022 Feb

REPOSITORIES: biostudies-literature