Related Experiment Video
Updated: Dec 24, 2025

Residue-Free Fabrication of van der Waals Heterostructures of Two-Dimensional Materials
Published on: July 18, 2025
Strain, electric-field and functionalization induced widely tunable electronic properties in MoS2/BC 3, /C 3 N and
A Bafekry1,2, C Stampfl3, M Ghergherehchi4
1Department of Physics, University of Guilan, 41335-1914 Rasht, Iran.
Abstract:
In this paper, the effect of BC 3, C 3 N and [Formula: see text] substrates on the atomic and electronic properties of MoS2 were systematically investigated using first-principles calculations. Our results show that the MoS2/BC 3 and MoS2/C 3 N4 heterostructures are direct semiconductors with band gaps of 0.4 and 1.74 eV, respectively, while MoS2/C 3 N is a metal. Furthermore, the influence of strain and electric field on the electronic structure of these van der Waals heterostructures is investigated. The MoS2/BC3 heterostructure, for strains larger than -4%, transforms it into a metal where the metallic character is maintained for strains larger than -6%. The band gap decreases with increasing strain to 0.35 eV (at +2%), while for strain (>+6%) a direct-indirect band gap transition is predicted to occur. For the MoS2/C3N heterostructure, the metallic character persists for all strains considered. On applying an electric field, the electronic properties of MoS2/C3N4 are modified and its band gap decreases as the electric field increases. Interestingly, the band gap reaches 30 meV at +0.8 V/Å, and with increase above +0.8 V/Å, a semiconductor-to-metal transition occurs. Furthermore, we investigated effects of semi- and full-hydrogenation of MoS2/C3N and we found that it leads to a metallic and semiconducting character, respectively.
Related Concept Videos
MOSFET: Enhancement Mode
In their basic form, enhancement-mode MOSFETs are typically non-conductive when the gate-source voltage (Vgs) is zero. This default 'off' state means no...
MOS Capacitor
The metal gate is typically made from highly conductive materials such as aluminum or polysilicon. Beneath the metal gate lies a thin layer of...
Characteristics of MOSFET
Various vital parameters influence their functionality, which is crucial for theory and electronics applications. First, channel dimensions, precisely length, and width, are pivotal. The size of these channels affects the transistor's ability to carry current and switching speeds; shorter channels typically enable...
Valence Bond Theory
MOSFET
In an n-MOSFET, the structure includes n-type source and drain...
Electrostatic Boundary Conditions in Dielectrics
Consider a case where both the mediums across a boundary are two different dielectric materials. Recall that the electric field and electric displacement are proportional and related through the material's permittivity....

