Visualization of defect induced in-gap states in monolayer MoS2

Trainer, Daniel J.; Nieminen, Jouko; Bobba, Fabrizio; Wang, Baokai; Xi, Xiaoxing; Bansil, Arun; Iavarone, Maria

doi:10.1038/s41699-022-00286-9

Title: Visualization of defect induced in-gap states in monolayer MoS₂

Journal Article · 27 February 2022 · npj 2D Materials and Applications

DOI: https://doi.org/10.1038/s41699-022-00286-9 · OSTI ID:1978716

Trainer, Daniel J. ^[1];

^[2]; Bobba, Fabrizio ^[3]; Wang, Baokai ^[4]; Xi, Xiaoxing ^[5];

^[4];

^[5]

Temple Univ., Philadelphia, PA (United States); Temple Univ., Philadelphia, PA (United States)
Tampere Univ. of Technology (Finland); Northeastern Univ., Boston, MA (United States)
Temple Univ., Philadelphia, PA (United States) ; Univ. of Salemo (Italy)
Northeastern Univ., Boston, MA (United States)
Temple Univ., Philadelphia, PA (United States)

Atomic-scale intrinsic defects play a key role in controlling functional electronic properties of two-dimensional (2D) materials. Here, we present a low-temperature scanning–tunneling microscopy and spectroscopy investigation of a common point-defect in monolayer molybdenum disulfide (MoS₂). We employ a sample preparation method in which the film surface is never exposed to air so that the native dangling bonds surrounding the defects in the film are preserved. Molybdenum vacancies are identified by their three characteristic in-gap resonances by combining scanning–tunneling measurements with parallel Green’s function-based theoretical modeling. The relative energy shifts between the various in-gap states allow us to identify a relative charge difference between two of the observed vacancies. The role of the substrate on the band structure of the defective MoS₂monolayer is unveiled. Our study highlights the effects of the substrate on the in-gap states of common defects found in MoS₂providing a pathway in designing and optimizing 2D materials for electronic applications.

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Research Organization:: Northeastern Univ., Boston, MA (United States); Temple Univ., Philadelphia, PA (United States); Univ. of California, Oakland, CA (United States)

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

Grant/Contract Number:: AC02-05CH11231; SC0012575; SC0019275

OSTI ID:: 1978716

Journal Information:: npj 2D Materials and Applications, Journal Name: npj 2D Materials and Applications Journal Issue: 1 Vol. 6; ISSN 2397-7132

Publisher:: Springer NatureCopyright Statement

Country of Publication:: United States

Language:: English

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Title: Visualization of defect induced in-gap states in monolayer MoS₂