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Atomically-resolved exciton emission from single defects in MoS$_2$

Materials Science 2025-10-20 v1 Mesoscale and Nanoscale Physics

Abstract

Understanding how atomic defects shape the nanoscale optical properties of two-dimensional (2D) semiconductors is essential for advancing quantum technologies and optoelectronics. Using scanning tunneling spectroscopy (STS) and luminescence (STML), we correlate the atomic structure and optical fingerprints of individual defects in monolayer MoS2_2. A bilayer of hexagonal boron nitride (hBN) effectively decouples MoS2_2 from the graphene substrate, increasing its band gap and extending the defect charge state lifetime. This enables the observation of sharp STML emission lines from MoS2_2 excitons and trions exhibiting nanoscale sensitivity to local potential fluctuations. We identify the optical signatures of common point defects in MoS2_2: sulfur vacancies (VacS_\text{S}^-), oxygen substitutions (OS_\text{S}), and negatively charged carbon-hydrogen complexes (CHS_\text{S}^-). While VacS_\text{S}^- and OS_\text{S} only suppress pristine excitonic emission, CHS_\text{S}^- generate defect-bound exciton complexes (AXA^-X) about 200\,meV below the MoS2_2 exciton. Sub-nanometer-resolved STML maps reveal large spectral shifts near charged defects, concurrent with the local band bending expected for band-to-defect optical transitions. These results establish an atomically precise correlation between structure, electronic states, and optical response, enabling deterministic engineering of quantum emitters in 2D materials.

Keywords

Cite

@article{arxiv.2510.15676,
  title  = {Atomically-resolved exciton emission from single defects in MoS$_2$},
  author = {Lysander Huberich and Eve Ammerman and Gu Yu and Yining Ren and Sotirios Papadopoulos and Chengye Dong and Joshua A. Robinson and Kenji Watanabe and Takashi Taniguchi and Oliver Gröning and Lukas Novotny and Tingxin Li and Shiyong Wang and Bruno Schuler},
  journal= {arXiv preprint arXiv:2510.15676},
  year   = {2025}
}
R2 v1 2026-07-01T06:43:18.491Z