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Formation of near-IR excitons in low-dimensional CuSbS2

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journal contribution
posted on 2021-10-28, 12:39 authored by Kevin M Conley, Caterina Cocchi, Tapio Ala-NissilaTapio Ala-Nissila
The electronic and optical properties of low-dimensional semiconductors are typically quite different from those of their bulk counterparts. Yet, the optical gap of two-dimensional copper antimony disulfide (CuSbS2) does not dramatically change with decreasing thickness of the material. The absorption onset remains at about 1.5 eV in the monolayer, bilayer, and bulk materials. Using density functional theory and many-body perturbation theory, we rationalize this behavior through the interplay of quantum confinement, electron-hole interactions, and the formation of surface states. Specifically, the spatial confinement in thin layers induces strongly bound optical transitions in the near-infrared region. Our results explain the optical properties in copper antimony disulfide platelets of varying thickness and set these materials as potential candidates for novel photovoltaic devices and near-infrared sensors.

Funding

Academy of Finland RADDESS project 314488

QTF Centre of Excellence program (project 312298)

German Research Foundation, project number 182087777 (CRC 951)

History

School

  • Science

Department

  • Mathematical Sciences

Published in

The Journal of Physical Chemistry C

Volume

125

Issue

38

Pages

21087 - 21092

Publisher

American Chemical Society (ACS)

Version

  • VoR (Version of Record)

Rights holder

© The authors

Publisher statement

This is an Open Access Article. It is published by American Chemical Society under the Creative Commons Attribution 4.0 Unported Licence (CC BY). Full details of this licence are available at: http://creativecommons.org/licenses/by/4.0/

Acceptance date

2021-09-09

Publication date

2021-09-20

Copyright date

2021

ISSN

1932-7447

eISSN

1932-7455

Language

  • en

Depositor

Prof Tapio Ala-Nissila. Deposit date: 27 October 2021

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