Stability and electronic properties of hybrid SnO bilayers: SnO/graphene and SnO/BN

Abstract

Van der Waals structures based on two-dimensional materials have been considered as promising structures for novel nanoscale electronic devices. Two-dimensional SnO films which display intrinsic p-type semiconducting properties were fabricated recently. In this paper, we consider vertically stacked heterostructures consisting of a SnO monolayer with graphene or a BN monolayer to investigate their stability, electronic and transport properties using density functional theory. The calculated results find that the properties of the constituent monolayers are retained in these SnO-based heterostructures, and a p-type Schottky barrier is formed in the SnO/graphene heterostructure. Additionally, the Schottky barrier can be effectively controlled with an external electric field, which is useful characteristic for the van der Waals heterostructure-based electronic devices. In the SnO/BN heterostructure, the electronic properties of SnO are least affected by the insulating monolayer suggesting that the BN monolayer would be an ideal substrate for SnO-based nanoscale devices.

Tunable Schottky barrier in van der Waals heterostructures of graphene and hydrogenated phosphorus carbide monolayer: first-principles calculations

“…This indicates that graphene can be used as the contact in a device rather than the channel, which performs much better than traditional metallic materials owing to its superior electronic and mechanical properties [11,12], such as semi-metallic, high carrier mobility, and intriguing quantum Hall effect [13][14][15]. Subsequently, various graphene-based 2D heterostructure devices are theoretically and experimentally investigated [8,[16][17][18]. In particular, graphene-based Schottky contact is different from the conventional metal-semiconductor interfaces (such as silicon-metal interfaces), in which one characteristic of the latter is that Schottky barrier created-which acts as a diode-does not change with the work function of the metal-the Fermi level is pinned by the presence of surface states, whereas for a graphene-silicon interface, Fermilevel pinning can be overcome.…”

Engineering 2D Materials for Photocatalytic Water-Splitting from a Theoretical Perspective

“…For example, the bandgap with conduction and valence band locations shift dramatically from a single layer to a few layers, as seen in MoS 2 and phosphorene layers [ 248 , 249 , 250 ]. As a result, it is critical to find 2D photocatalysts with appropriate thickness-independent band gaps and band edge alignment with high mobility [ 36 , 251 ]. However, a few single photocatalysts can spontaneously fulfill high solar energy conversion efficiency and photocatalytic redox processes.…”

Strain-tunable electronic and optical properties of h-BN/BC3 heterostructure with enhanced electron mobility*

“…[3][4][5][6][7][8][9] Owing to the atomically flat and inert surface, h-BN monolayer has proven to be beneficial to a variety of multifunctional devices consisting of graphene, [10][11][12][13] MoS 2 , [14][15][16][17] and others. [18][19][20] For example, the use of h-BN thin film as a substrate for monolayer MoS 2 can reduce the Coulombic charge scattering, lower the Schottky barrier height, and enhance the carrier mobility, showing excellent performance for optoelectronic device. [5,14,17,21] This has also been evidenced on another Gr/h-BN/MoSe 2 heterostructure by vertically stacking graphene (Gr) on the top of 2D h-BN and MoSe 2 .…”