Inversion domain boundaries in MoSe2 layers
Journal
RSC Advances
Journal Volume
8
Journal Issue
58
Start Page
33391
End Page
33397
ISSN
20462069
Date Issued
2018
Author(s)
Truong, Quang Duc
Nakayasu, Yuta
Nayuki, Keiichiro
Sasaki, Yoshikazu
Murukanahally Kempaiah, Devaraju
Yin, Lichang
Tomai, Takaaki
Saito, Riichiro
Honma, Itaru
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.
Subjects
Chains
Density Functional Theory
Energy Gap
Grain Boundaries
High Resolution Transmission Electron Microscopy
Layered Semiconductors
Molybdenum Compounds
Point Defects
Scanning Electron Microscopy
Selenium Compounds
Semiconducting Selenium Compounds
Transition Metals
Transmission Electron Microscopy
Aberration-corrected Scanning Transmission Electron Microscopies
Edge-shared Chain
Electronic Transport Properties
Inversion Domain Boundaries
Layered Transition Metal Dichalcogenides
Low-dimensional Materials
One-dimensional Chains
Physical And Chemical Properties
Sulfur Compounds
Publisher
Royal Society of Chemistry
Type
journal article