title: Identifying and Visualizing the Edge Terminations of Single-Layer MoSe2Island Epitaxially Grown on Au(111).
abstract: Recently, single-layer transition-metal dichalcogenides have drawn significant attention due to their remarkable physical properties in the monolayer as well as at the edges. Here, we constructed high-quality, single-layer MoSe2islands on the Au(111) surfaces in ultrahigh vacuum by molecular beam epitaxy. All of the islands have hexagonal or triangular shapes with two kinds of well-defined edges. Scanning tunneling spectroscopy (STS) curves show notable differences in positive sample bias for the two types of edges. Density functional theory calculations for several edge configurations of MoSe2confirm that the STS differences are attributed to the coupling between the pzorbital of Se atoms and the dxzorbital of Mo atoms, and the two types of observed edge terminations are the bare Se edge and selenium-saturated Mo edge.
authors.affiliation: Institute of Physics & University of Chinese Academy of Sciences, Chinese Academy of Sciences , Beijing 100190, P. R. China.
authors.forename: Jianchen
authors.initials: J
authors.lastname: Lu
authors.affiliation: Institute of Physics & University of Chinese Academy of Sciences, Chinese Academy of Sciences , Beijing 100190, P. R. China.
authors.forename: De-Liang
authors.initials: DL
authors.lastname: Bao
authors.affiliation: Institute of Physics & University of Chinese Academy of Sciences, Chinese Academy of Sciences , Beijing 100190, P. R. China.
authors.forename: Kai
authors.initials: K
authors.lastname: Qian
authors.affiliation: Institute of Physics & University of Chinese Academy of Sciences, Chinese Academy of Sciences , Beijing 100190, P. R. China.
authors.forename: Shuai
authors.initials: S
authors.lastname: Zhang
authors.affiliation: Institute of Physics & University of Chinese Academy of Sciences, Chinese Academy of Sciences , Beijing 100190, P. R. China.
authors.forename: Hui
authors.initials: H
authors.lastname: Chen
authors.affiliation: Institute of Physics & University of Chinese Academy of Sciences, Chinese Academy of Sciences , Beijing 100190, P. R. China.
authors.forename: Xiao
authors.initials: X
authors.lastname: Lin
authors.affiliation: Institute of Physics & University of Chinese Academy of Sciences, Chinese Academy of Sciences , Beijing 100190, P. R. China.
authors.forename: Shi-Xuan
authors.identifier: 0000-0001-9323-1307
authors.initials: SX
authors.lastname: Du
authors.affiliation: Institute of Physics & University of Chinese Academy of Sciences, Chinese Academy of Sciences , Beijing 100190, P. R. China.
authors.forename: Hong-Jun
authors.initials: HJ
authors.lastname: Gao
keywords: density functional theory; edge terminations; molecular beam epitaxy; scanning tunneling microscopy; scanning tunneling spectroscopy; single-layer MoSe2 islands