Issue 20, 2023

Direct characterization of intrinsic defects in monolayer ReSe2 on graphene

Abstract

Understanding the characteristics of intrinsic defects in crystals is of great interest in many fields, from fundamental physics to applied materials science. Combined investigations of scanning tunneling microscopy/spectroscopy (STM/S) and density functional theory (DFT) are conducted to understand the nature of Se vacancy defects in monolayer (ML) ReSe2 grown on a graphene substrate. Among four possible Se vacancy sites, we identify the Se4 vacancy close to the Re layer by registry between STM topography and DFT simulated images. The Se4 vacancy is also thermodynamically favored in formation energy calculations, supporting its common observation via STM. dI/dV spectroscopy shows that the Se4 vacancy has a defect state at around −1.0 V, near the valence band maximum (EVBM). DOS calculations done for all four Se vacancies indicate that only the Se4 vacancy presents such a defect state near EVBM, confirming experimental observations. Our work provides valuable insights into the behavior of ML ReSe2/graphene heterojunctions containing naturally occurring Se vacancies, which may have strong implications in electronic device applications.

Graphical abstract: Direct characterization of intrinsic defects in monolayer ReSe2 on graphene

Supplementary files

Article information

Article type
Paper
Submitted
26 Mai 2023
Accepted
15 Sep 2023
First published
15 Sep 2023
This article is Open Access
Creative Commons BY-NC license

Nanoscale Adv., 2023,5, 5513-5519

Direct characterization of intrinsic defects in monolayer ReSe2 on graphene

N. H. Lam, J. Ko, B. K. Choi, T. T. Ly, G. Lee, K. Jang, Y. J. Chang, A. Soon and J. Kim, Nanoscale Adv., 2023, 5, 5513 DOI: 10.1039/D3NA00363A

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