Edge-Mediated Annihilation of Vacancy Clusters in Monolayer Molybdenum Diselenide (MoSe2) under Electron Beam Irradiation

Zhang, Xu; Zhang, Xiang; Ajayan, Pulickel M.; Wen, Jianguo; Espinosa, Horacio D.

doi:10.1002/smll.202105194

Title: Edge-Mediated Annihilation of Vacancy Clusters in Monolayer Molybdenum Diselenide (MoSe₂) under Electron Beam Irradiation

Journal Article · Tue Nov 16 00:00:00 EST 2021 · Small

DOI:https://doi.org/10.1002/smll.202105194· OSTI ID:1845697

Zhang, Xu ^[1]; Zhang, Xiang ^[2]; Ajayan, Pulickel M. ^[2]; Wen, Jianguo ^[3];

^[1]

Northwestern Univ., Evanston, IL (United States)
Rice Univ., Houston, TX (United States)
Argonne National Lab. (ANL), Argonne, IL (United States)

Abstract Annihilation of vacancy clusters in monolayer molybdenum diselenide (MoSe ₂ ) under electron beam irradiation is reported. In situ high‐resolution transmission electron microscopy observation reveals that the annihilation is achieved by diffusion of vacancies to the free edge near the vacancy clusters. Monte Carlo simulations confirm that it is energetically favorable for the vacancies to locate at the free edge. By computing the minimum energy path for the annihilation of one vacancy cluster as a case study, it is further shown that electron beam irradiation and pre‐stress in the suspended MoSe ₂ monolayer are necessary for the vacancies to overcome the energy barriers for diffusion. The findings suggest a new mechanism of vacancy healing in 2D materials and broaden the capability of electron beam for defect engineering of 2D materials, a promising way of tuning their properties for engineering applications.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC); National Science Foundation (NSF)

Grant/Contract Number:: AC02-06CH11357; CMMI 1953806

OSTI ID:: 1845697

Alternate ID(s):: OSTI ID: 1832964

Journal Information:: Small, Vol. 18, Issue 1; ISSN 1613-6810

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

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Title: Edge-Mediated Annihilation of Vacancy Clusters in Monolayer Molybdenum Diselenide (MoSe2) under Electron Beam Irradiation

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Title: Edge-Mediated Annihilation of Vacancy Clusters in Monolayer Molybdenum Diselenide (MoSe₂) under Electron Beam Irradiation