Three-fold rotational defects in two-dimensional transition metal dichalcogenides
As defects frequently govern the properties of crystalline solids, the precise microscopic knowledge of defect atomic structure is of fundamental importance. We report a new class of point defects in single-layer transition metal dichalcogenides that can be created through 60° rotations of metal–cha...
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Nature Pub. Group
2015
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4396367/ |
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pubmed-43963672015-04-24 Three-fold rotational defects in two-dimensional transition metal dichalcogenides Lin, Yung-Chang Björkman, Torbjörn Komsa, Hannu-Pekka Teng, Po-Yuan Yeh, Chao-Hui Huang, Fei-Sheng Lin, Kuan-Hung Jadczak, Joanna Huang, Ying-Sheng Chiu, Po-Wen Krasheninnikov, Arkady V. Suenaga, Kazu Article As defects frequently govern the properties of crystalline solids, the precise microscopic knowledge of defect atomic structure is of fundamental importance. We report a new class of point defects in single-layer transition metal dichalcogenides that can be created through 60° rotations of metal–chalcogen bonds in the trigonal prismatic lattice, with the simplest among them being a three-fold symmetric trefoil-like defect. The defects, which are inherently related to the crystal symmetry of transition metal dichalcogenides, can expand through sequential bond rotations, as evident from in situ scanning transmission electron microscopy experiments, and eventually form larger linear defects consisting of aligned 8–5–5–8 membered rings. First-principles calculations provide insights into the evolution of rotational defects and show that they give rise to p-type doping and local magnetic moments, but weakly affect mechanical characteristics of transition metal dichalcogenides. Thus, controllable introduction of rotational defects can be used to engineer the properties of these materials. Nature Pub. Group 2015-04-02 /pmc/articles/PMC4396367/ /pubmed/25832503 http://dx.doi.org/10.1038/ncomms7736 Text en Copyright © 2015, Nature Publishing Group, a division of Macmillan Publishers Limited. All Rights Reserved. http://creativecommons.org/licenses/by/4.0/ This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ |
| repository_type |
Open Access Journal |
| institution_category |
Foreign Institution |
| institution |
US National Center for Biotechnology Information |
| building |
NCBI PubMed |
| collection |
Online Access |
| language |
English |
| format |
Online |
| author |
Lin, Yung-Chang Björkman, Torbjörn Komsa, Hannu-Pekka Teng, Po-Yuan Yeh, Chao-Hui Huang, Fei-Sheng Lin, Kuan-Hung Jadczak, Joanna Huang, Ying-Sheng Chiu, Po-Wen Krasheninnikov, Arkady V. Suenaga, Kazu |
| spellingShingle |
Lin, Yung-Chang Björkman, Torbjörn Komsa, Hannu-Pekka Teng, Po-Yuan Yeh, Chao-Hui Huang, Fei-Sheng Lin, Kuan-Hung Jadczak, Joanna Huang, Ying-Sheng Chiu, Po-Wen Krasheninnikov, Arkady V. Suenaga, Kazu Three-fold rotational defects in two-dimensional transition metal dichalcogenides |
| author_facet |
Lin, Yung-Chang Björkman, Torbjörn Komsa, Hannu-Pekka Teng, Po-Yuan Yeh, Chao-Hui Huang, Fei-Sheng Lin, Kuan-Hung Jadczak, Joanna Huang, Ying-Sheng Chiu, Po-Wen Krasheninnikov, Arkady V. Suenaga, Kazu |
| author_sort |
Lin, Yung-Chang |
| title |
Three-fold rotational defects in two-dimensional transition metal dichalcogenides |
| title_short |
Three-fold rotational defects in two-dimensional transition metal dichalcogenides |
| title_full |
Three-fold rotational defects in two-dimensional transition metal dichalcogenides |
| title_fullStr |
Three-fold rotational defects in two-dimensional transition metal dichalcogenides |
| title_full_unstemmed |
Three-fold rotational defects in two-dimensional transition metal dichalcogenides |
| title_sort |
three-fold rotational defects in two-dimensional transition metal dichalcogenides |
| description |
As defects frequently govern the properties of crystalline solids, the precise microscopic knowledge of defect atomic structure is of fundamental importance. We report a new class of point defects in single-layer transition metal dichalcogenides that can be created through 60° rotations of metal–chalcogen bonds in the trigonal prismatic lattice, with the simplest among them being a three-fold symmetric trefoil-like defect. The defects, which are inherently related to the crystal symmetry of transition metal dichalcogenides, can expand through sequential bond rotations, as evident from in situ scanning transmission electron microscopy experiments, and eventually form larger linear defects consisting of aligned 8–5–5–8 membered rings. First-principles calculations provide insights into the evolution of rotational defects and show that they give rise to p-type doping and local magnetic moments, but weakly affect mechanical characteristics of transition metal dichalcogenides. Thus, controllable introduction of rotational defects can be used to engineer the properties of these materials. |
| publisher |
Nature Pub. Group |
| publishDate |
2015 |
| url |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4396367/ |
| _version_ |
1613211483659829248 |