Three-fold rotational defects in two-dimensional transition metal dichalcogenides

Yung-Chang Lin*, Torbjörn Björkman, Hannu-Pekka Komsa, Po-Yuan Teng, Chao-Hui Yeh, Fei-Sheng Huang, Kuan-Hung Lin, Joanna Jadczak, Ying-Sheng Huang, Po-Wen Chiu, Arkady V. Krasheninnikov, Kazu Suenaga

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

107 Citations (Scopus)
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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 degrees 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.

Original languageEnglish
Article number6736
Pages (from-to)1-6
Number of pages6
JournalNature Communications
Publication statusPublished - Apr 2015
MoE publication typeA1 Journal article-refereed



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