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Article: Gap states at low-angle grain boundaries in monolayer tungsten diselenide

TitleGap states at low-angle grain boundaries in monolayer tungsten diselenide
Authors
Keywordsdislocation core
first-principles calculations
STM/STS
low-angle grain boundaries
gap states
monolayer WSe 2
Issue Date2016
Citation
Nano Letters, 2016, v. 16, n. 6, p. 3682-3688 How to Cite?
AbstractTwo-dimensional (2D) transition metal dichalcogenides (TMDs) have revealed many novel properties of interest to future device applications. In particular, the presence of grain boundaries (GBs) can significantly influence the material properties of 2D TMDs. However, direct characterization of the electronic properties of the GB defects at the atomic scale remains extremely challenging. In this study, we employ scanning tunneling microscopy and spectroscopy to investigate the atomic and electronic structure of low-angle GBs of monolayer tungsten diselenide (WSe ) with misorientation angles of 3-6°. Butterfly features are observed along the GBs, with the periodicity depending on the misorientation angle. Density functional theory calculations show that these butterfly features correspond to gap states that arise in tetragonal dislocation cores and extend to distorted six-membered rings around the dislocation core. Understanding the nature of GB defects and their influence on transport and other device properties highlights the importance of defect engineering in future 2D device fabrication. 2
Persistent Identifierhttp://hdl.handle.net/10722/298155
ISSN
2020 Impact Factor: 11.189
2020 SCImago Journal Rankings: 4.853

 

DC FieldValueLanguage
dc.contributor.authorHuang, Yu Li-
dc.contributor.authorDing, Zijing-
dc.contributor.authorZhang, Wenjing-
dc.contributor.authorChang, Yung Huang-
dc.contributor.authorShi, Yumeng-
dc.contributor.authorLi, Lain Jong-
dc.contributor.authorSong, Zhibo-
dc.contributor.authorZheng, Yu Jie-
dc.contributor.authorChi, Dongzhi-
dc.contributor.authorQuek, Su Ying-
dc.contributor.authorWee, Andrew T.S.-
dc.date.accessioned2021-04-08T03:07:48Z-
dc.date.available2021-04-08T03:07:48Z-
dc.date.issued2016-
dc.identifier.citationNano Letters, 2016, v. 16, n. 6, p. 3682-3688-
dc.identifier.issn1530-6984-
dc.identifier.urihttp://hdl.handle.net/10722/298155-
dc.description.abstractTwo-dimensional (2D) transition metal dichalcogenides (TMDs) have revealed many novel properties of interest to future device applications. In particular, the presence of grain boundaries (GBs) can significantly influence the material properties of 2D TMDs. However, direct characterization of the electronic properties of the GB defects at the atomic scale remains extremely challenging. In this study, we employ scanning tunneling microscopy and spectroscopy to investigate the atomic and electronic structure of low-angle GBs of monolayer tungsten diselenide (WSe ) with misorientation angles of 3-6°. Butterfly features are observed along the GBs, with the periodicity depending on the misorientation angle. Density functional theory calculations show that these butterfly features correspond to gap states that arise in tetragonal dislocation cores and extend to distorted six-membered rings around the dislocation core. Understanding the nature of GB defects and their influence on transport and other device properties highlights the importance of defect engineering in future 2D device fabrication. 2-
dc.languageeng-
dc.relation.ispartofNano Letters-
dc.subjectdislocation core-
dc.subjectfirst-principles calculations-
dc.subjectSTM/STS-
dc.subjectlow-angle grain boundaries-
dc.subjectgap states-
dc.subjectmonolayer WSe 2-
dc.titleGap states at low-angle grain boundaries in monolayer tungsten diselenide-
dc.typeArticle-
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1021/acs.nanolett.6b00888-
dc.identifier.scopuseid_2-s2.0-84974588468-
dc.identifier.volume16-
dc.identifier.issue6-
dc.identifier.spage3682-
dc.identifier.epage3688-
dc.identifier.eissn1530-6992-
dc.identifier.issnl1530-6984-

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