Please use this identifier to cite or link to this item: https://doi.org/10.1016/j.isci.2021.103456
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dc.titleAnisotropic point defects in rhenium diselenide monolayers
dc.contributor.authorZhu, Yong
dc.contributor.authorTao, Lei
dc.contributor.authorChen, Xiya
dc.contributor.authorMa, Yinhang
dc.contributor.authorNing, Shoucong
dc.contributor.authorZhou, Jiadong
dc.contributor.authorZhao, Xiaoxu
dc.contributor.authorBosman, Michel
dc.contributor.authorLiu, Zheng
dc.contributor.authorDu, Shixuan
dc.contributor.authorPantelides, Sokrates T.
dc.contributor.authorZhou, Wu
dc.date.accessioned2022-10-26T08:58:32Z
dc.date.available2022-10-26T08:58:32Z
dc.date.issued2021-11-01
dc.identifier.citationZhu, Yong, Tao, Lei, Chen, Xiya, Ma, Yinhang, Ning, Shoucong, Zhou, Jiadong, Zhao, Xiaoxu, Bosman, Michel, Liu, Zheng, Du, Shixuan, Pantelides, Sokrates T., Zhou, Wu (2021-11-01). Anisotropic point defects in rhenium diselenide monolayers. iScience 24 (12) : 103456. ScholarBank@NUS Repository. https://doi.org/10.1016/j.isci.2021.103456
dc.identifier.issn2589-0042
dc.identifier.urihttps://scholarbank.nus.edu.sg/handle/10635/233510
dc.description.abstractPoint defects in 1T? anisotropic ReSe2 offer many possibilities for defect engineering, which could endow this two-dimensional semiconductor with new functionalities, but have so far received limited attention. Here, we systematically investigate a full spectrum of point defects in ReSe2, including vacancies (VSe1-4), isoelectronic substitutions (OSe1-4 and SSe1-4), and antisite defects (SeRe1-2 and ReSe1-4), by atomic-scale electron microscopy imaging and density functional theory (DFT) calculations. Statistical counting reveals a diverse density of various point defects, which are further elaborated by the formation energy calculations. Se vacancy dynamics was unraveled by in-situ electron beam irradiation. DFT calculations reveal that vacancies at Se sites notably introduce in-gap states, which are largely quenched upon isoelectronic substitutions (O and S), whereas antisite defects introduce localized magnetic moments. These results provide atomic-scale insight of atomic defects in 1T?-ReSe2, paving the way for tuning the electronic structure of anisotropic ReSe2 via defect engineering. © 2021 The Author(s)
dc.publisherElsevier Inc.
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 International
dc.rights.urihttps://creativecommons.org/licenses/by-nc-nd/4.0/
dc.sourceScopus OA2021
dc.subjectMaterials science
dc.subjectMaterials synthesis
dc.subjectNanomaterials
dc.typeArticle
dc.contributor.departmentDEPT OF MATERIALS SCIENCE & ENGINEERING
dc.contributor.departmentMATERIALS SCIENCE AND ENGINEERING
dc.contributor.departmentCOLLEGE OF DESIGN AND ENGINEERING
dc.description.doi10.1016/j.isci.2021.103456
dc.description.sourcetitleiScience
dc.description.volume24
dc.description.issue12
dc.description.page103456
dc.published.statePublished
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