The role of permanent and induced electrostatic dipole moments for Schottky barriers in Janus MXY/graphene heterostructures: a first-principles study

Abstract

The Schottky barrier height (ESBH) is a crucial factor in determining the transport properties of semiconductor materials and it directly regulates the carrier mobility in opto-electronics devices. In principle, van...

Comparative study of Janus B2XY (X, Y = S, Se, Te) and F-BNBN-H monolayers for water splitting: revealing the positive and negative roles of the intrinsic dipole

“…Among B 2 XY monolayers, B 2 STe has the largest dipole moment m because of its most prominent electronegativity difference between the top (001) and bottom (00% 1) surfaces. As benchmark calculations, our theoretical intrinsic dipole moments of MoSTe, WSSe, and WSTe monolayers are 0.37, 0.17, and 0.36 Debye (1 e Å = 4.807 Debye), respectively, which is identical to that in a previous calculation, 40 affirming the reliability of our calculation. The top and side views of the F-BNBN-H monolayer are given in Fig.…”

Tunability of the electronic properties and electrical contact in graphene/SiH heterostructures

“…For the heterostructure, constructing between two different 2D materials, one of the most effective strategies to tune its electronic properties and electric contact is applying an external electric field (E ext ) or changing the interlayer separation between two layers. [59][60][61][62] Therefore, we further examine the possibility of tuning the electronic properties and electric contacts of the GR/SiH heterostructure under the E ext and vertical strain by changing the d sp . The E ext , pointing from SiH to the GR layer is defined as the positive direction, as illustrated in the inset of Fig.…”

Monolayers of Germanene/Janus Ga2SeTe van der Waals Heterostructures by First-Principles Calculations for High-Performance Optoelectronic Devices

“…32−34 Inspired by the traditional 2D vdWHs, researchers have theoretically proposed various heterostructures based on Janus 2D materials to explore their novel properties. In recent years, Janus vdWHs have been widely studied and classified into three categories: Janus TMDs−TMDs, 35,36 Janus TMDs−graphene, 37,38 and heterostructures composed of Janus TMDs and other traditional 2D materials. 39−41 Many studies have found that these Janus vdWHs exhibited promising potential in terms of electronic properties, photocatalytic properties, Rashba effect, and piezoelectric effect.…”

“…van der Waals heterostructures (vdWHs), which are vertically stacked by two 2D materials, have been considered to be promising candidates for optoelectronic devices, photocatalysis, − and spintronics. − Inspired by the traditional 2D vdWHs, researchers have theoretically proposed various heterostructures based on Janus 2D materials to explore their novel properties. In recent years, Janus vdWHs have been widely studied and classified into three categories: Janus TMDs–TMDs, , Janus TMDs–graphene, , and heterostructures composed of Janus TMDs and other traditional 2D materials. − Many studies have found that these Janus vdWHs exhibited promising potential in terms of electronic properties, photocatalytic properties, Rashba effect, and piezoelectric effect. For instance, Lin et al investigated the physical structure and optoelectronic properties of Janus Ga 2 SeTe/In 2 SSe heterostructures, and the materials have been found to be promising for applications in the visible and UV systems.…”