Hong, Jinhua, Wang, Yanlei, Wang, Anle et al. (6 more authors) (2017) Atomistic dynamics of sulfur-deficient high-symmetry grain boundaries in molybdenum disulfide. Nanoscale. pp. 10312-10320. ISSN 2040-3372
Abstract
As a common type of structural defect, grain boundaries (GBs) play an important role in tailoring the physical and chemical properties of bulk crystals and their two-dimensional (2D) counterparts such as graphene and molybdenum disulfide (MoS2). In this study, we explore the atomic structures and dynamics of three kinds of high-symmetry GBs (α, β and γ) in monolayer MoS2. Atomic-resolution transmission electron microscopy (TEM) is used to characterize their formation and evolutionary dynamics, and atomistic simulation based analysis explains the size distribution of α-type GBs observed under TEM and the inter-GB interaction, revealing the stabilization mechanism of GBs by pre-existing sulfur vacancies. The results elucidate the correlation between the observed GB dynamics and the migration of sulfur atoms across GBs via a vacancy-mediated mechanism, offering a new perspective for GB engineering in monolayer MoS2, which may be generalized to other transition metal dichalcogenides.
Metadata
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Copyright, Publisher and Additional Information: | © The Royal Society of Chemistry 2017 | ||||
Dates: |
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Institution: | The University of York | ||||
Academic Units: | The University of York > Faculty of Sciences (York) > Physics (York) | ||||
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Depositing User: | Pure (York) | ||||
Date Deposited: | 08 Dec 2017 10:40 | ||||
Last Modified: | 05 Feb 2024 00:29 | ||||
Published Version: | https://doi.org/10.1039/c7nr02941a | ||||
Status: | Published | ||||
Refereed: | Yes | ||||
Identification Number: | https://doi.org/10.1039/c7nr02941a | ||||
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