Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/164212
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dc.contributor.authorZhu, Yongen_US
dc.contributor.authorTao, Leien_US
dc.contributor.authorChen, Xiyaen_US
dc.contributor.authorMa, Yinhangen_US
dc.contributor.authorNing, Shoucongen_US
dc.contributor.authorZhou, Jiadongen_US
dc.contributor.authorZhao, Xiaoxuen_US
dc.contributor.authorBosman, Michelen_US
dc.contributor.authorLiu, Zhengen_US
dc.contributor.authorDu, Shixuanen_US
dc.contributor.authorPantelides, Sokrates T.en_US
dc.contributor.authorZhou, Wuen_US
dc.date.accessioned2023-01-10T00:40:28Z-
dc.date.available2023-01-10T00:40:28Z-
dc.date.issued2021-
dc.identifier.citationZhu, Y., Tao, L., Chen, X., Ma, Y., Ning, S., Zhou, J., Zhao, X., Bosman, M., Liu, Z., Du, S., Pantelides, S. T. & Zhou, W. (2021). Anisotropic point defects in rhenium diselenide monolayers. IScience, 24(12), 103456-. https://dx.doi.org/10.1016/j.isci.2021.103456en_US
dc.identifier.issn2589-0042en_US
dc.identifier.urihttps://hdl.handle.net/10356/164212-
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.en_US
dc.description.sponsorshipNanyang Technological Universityen_US
dc.language.isoenen_US
dc.relation03INS000973C150en_US
dc.relation.ispartofiScienceen_US
dc.rights© 2021 The Author(s). This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).en_US
dc.subjectEngineering::Materialsen_US
dc.titleAnisotropic point defects in rhenium diselenide monolayersen_US
dc.typeJournal Articleen
dc.contributor.schoolSchool of Materials Science and Engineeringen_US
dc.identifier.doi10.1016/j.isci.2021.103456-
dc.description.versionPublished versionen_US
dc.identifier.pmid34888499-
dc.identifier.scopus2-s2.0-85119935618-
dc.identifier.issue12en_US
dc.identifier.volume24en_US
dc.identifier.spage103456en_US
dc.subject.keywordsMaterials Synthesisen_US
dc.subject.keywordsNanomaterialsen_US
dc.description.acknowledgementThis work is supported by the National Key R&D Program of China (No. 2018YFA0305800), Beijing Outstanding Young Scientist Program (BJJWZYJH01201914430039) and the Strategic Priority Research Program of the Chinese Academy of Sciences (XDB30000000). X.X.Z. thanks the support from the Presidential Postdoctoral Fellowship, Nanyang Technological University, Singapore via grant 03INS000973C150.en_US
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