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Issue 58, 2018, Issue in Progress
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Inversion domain boundaries in MoSe2 layers

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Abstract

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 (MoSe2 and MoS2) 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 MoSe2 matrix with the occurrence of a new state within the band gap.

Graphical abstract: Inversion domain boundaries in MoSe2 layers

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Publication details

The article was received on 29 Aug 2018, accepted on 21 Sep 2018 and first published on 27 Sep 2018


Article type: Paper
DOI: 10.1039/C8RA07205A
Citation: RSC Adv., 2018,8, 33391-33397
  • Open access: Creative Commons BY-NC license
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    Inversion domain boundaries in MoSe2 layers

    Q. D. Truong, N. T. Hung, Y. Nakayasu, K. Nayuki, Y. Sasaki, D. Murukanahally Kempaiah, L. Yin, T. Tomai, R. Saito and I. Honma, RSC Adv., 2018, 8, 33391
    DOI: 10.1039/C8RA07205A

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