Inversion domain boundaries in MoSe 2 layers

Structural defects, including point defects, dislocation and planar defects, significantly affect the physical and chemical properties of low-dimensional materials, such as layered compounds. In particular, inversion domain boundary is an intrinsic defect surrounded by a 60° grain boundary, which si...

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Bibliographic Details
Published in:RSC advances 2018-09, Vol.8 (58), p.33391-33397
Main Authors: Truong, Quang Duc, Hung, Nguyen Tuan, Nakayasu, Yuta, Nayuki, Keiichiro, Sasaki, Yoshikazu, Murukanahally Kempaiah, Devaraju, Yin, Li-Chang, Tomai, Takaaki, Saito, Riichiro, Honma, Itaru
Format: Article
Language:English
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Summary:Structural defects, including point defects, dislocation and planar defects, significantly affect the physical and chemical properties of low-dimensional materials, such as layered compounds. In particular, inversion domain boundary is an intrinsic defect surrounded by a 60° grain boundary, which significantly influences electronic transport properties. We study atomic structures of the inversion domain grain boundaries (IDBs) in layered transition metal dichalcogenides (MoSe and MoS ) obtained by an exfoliation method, based on the aberration-corrected scanning transmission electron microscopy observation and density functional theory (DFT) calculation. The atomic-scale observation shows that the grain boundaries consist of two different types of 4-fold ring point shared and 8-fold ring edge shared chains. The results of DFT calculations indicate that the inversion domain grain boundary behaves as a metallic one-dimensional chain embedded in the semiconducting MoSe matrix with the occurrence of a new state within the band gap.
ISSN:2046-2069
2046-2069
DOI:10.1039/c8ra07205a