Point Defects and Grain Boundaries in Rotationally Commensurate MoS2 on Epitaxial Graphene

Liu, Xiaolong; Balla, Itamar; Bergeron, Hadallia; Hersam, Mark C.

doi:10.1021/acs.jpcc.6b02073

Point Defects and Grain Boundaries in Rotationally Commensurate MoS₂ on Epitaxial Graphene

Journal Article · Tue Mar 22 04:00:00 EDT 2016 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/acs.jpcc.6b02073· OSTI ID:1387510

Liu, Xiaolong ^[1]; Balla, Itamar ^[1]; Bergeron, Hadallia ^[1]; Hersam, Mark C. ^[1]

Northwestern Univ., Evanston, IL (United States)

With reduced degrees of freedom, structural defects are expected to play a greater role in two-dimensional materials in comparison to their bulk counterparts. In particular, mechanical strength, electronic properties, and chemical reactivity are strongly affected by crystal imperfections in the atomically thin limit. Here, ultrahigh vacuum (UHV) scanning tunneling microscopy (STM) and spectroscopy (STS) are employed to interrogate point and line defects in monolayer MoS₂ grown on epitaxial graphene (EG) at the atomic scale. Five types of point defects are observed with the majority species showing apparent structures that are consistent with vacancy and interstitial models. The total defect density is observed to be lower than MoS₂ grown on other substrates and is likely attributed to the van der Waals epitaxy of MoS₂ on EG. Grain boundaries (GBs) with 30° and 60° tilt angles resulting from the rotational commensurability of MoS₂ on EG are more easily resolved by STM than atomic force microscopy at similar scales due to the enhanced contrast from their distinct electronic states. For example, band gap reduction to ~0.8 and ~0.5 eV is observed with STS for 30° and 60° GBs, respectively. In addition, atomic resolution STM images of these GBs are found to agree well with proposed structure models. In conclusion, this work offers quantitative insight into the structure and properties of common defects in MoS₂ and suggests pathways for tailoring the performance of MoS₂/graphene heterostructures via defect engineering.

View Accepted Manuscript (DOE)

Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Argonne-Northwestern Solar Energy Research Center (ANSER)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); US Department of the Navy, Office of Naval Research (ONR)

Grant/Contract Number:: SC0001059; SC0001785

OSTI ID:: 1387510

Journal Information:: Journal of Physical Chemistry. C, Journal Name: Journal of Physical Chemistry. C Journal Issue: 37 Vol. 120; ISSN 1932-7447

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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