Inversion domain boundaries in MoSe2 layers. Issue 58 (27th September 2018)

• Record Type: Journal Article
• 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
• Is Part Of: RSC advances. Volume 8:Issue 58(2018)
• Page Start: 33391
• Page End: 33397
• Publication Date: 2018-09-27
• Subjects: Chemistry -- Periodicals; 540.5
• DOI: 10.1039/c8ra07205a
• Languages: English
• ISSNs: 2046-2069

Abstract

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. 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.