In this work, we perform a first-principle study to investigate the atomic and electronic
structures of the C 3 N 4/MoSi 2 N 4 van der Waals heterostructure (vdWH) as well as its …

The aspiration of electronic technologies that are resistant to high‐energy cosmic radiation
is essential for current harsh radiation environment exploration. Integrated circuits mostly …

Seeking novel materials with specific applications is always an attractive theme in
developing two-dimensional (2D) materials. Herein, we predicted a series of 2D pentagonal …

The electronic properties of monolayer (ML) Ga2O3 and transport properties of ML Ga2O3-
based n-type metal–oxide–semiconductor field-effect transistors (MOSFETs) are …

Metal dichalcogenides are novel two-dimensional (2D) semiconductors after the discovery
of graphene. In this article, phonon-limited mobility for six kinds of 2D semiconductors with …

Two-dimensional transition metal dichalcogenides show great potential as promising
thermoelectric materials due to their lower dimensionality, the unique density of states and …

By means of systematic density functional theory (DFT) computations, we identified 12 stable
two-dimensional (2D) disulfide monolayers featuring a square lattice from a pool of 68 …

Since the discovery of penta-graphene, two-dimensional (2-D) pentagonal-structured
materials have been highly expected to have desirable performance because of their unique …

Seeking high-performance energy conversion materials is one of the most important issues
in designing 2D materials. In the framework of density functional theory, we propose a series …

We study theoretically the effects of an anisotropic elastic strain on the exciton energy
spectrum fine structure and optical selection rules in atomically thin crystals based on …