Over the past decade, two-dimensional semiconductors (2DSCs) have aroused wide
interest due to their extraordinary electronic, magnetic, optical, mechanical, and thermal …

The adsorption behaviors of gas molecules, including CO, NH 3, NO, and NO 2 on pristine
and defective g-GaN, and their adsorption energy, charge transfer, and magnetic moment …

The electronic, magnetism, and optical absorption behaviors of transition metals adsorbed g-
GaN systems were investigated by employing density functional theory based on first …

A novel gallium nitride (GaN) monolayer was investigated and predicted for the application
in optoelectronic devices by first-principles calculations. The GaN monolayers with …

Understanding the method of inducing magnetism and the source of magnetism in two-
dimensional (2D) materials is essential for the development of spintronic devices. Here, we …

In this paper, we have investigated optoelectronic properties of two-dimensional GaN
adsorbed with non-metal atoms: H, N and O based on first-principle. We find that adsorption …

The influences of the hole-doped and biaxial strain applied on the electronic structure and
magnetism of graphene-like ZnO monolayer are systematically investigated by the first …

Magnetism and self-doping induced by adsorbing superhalogens in g-GaN are expected to
be applied in the field of spintronics and electronics. The adsorption, electronic, and …

Exploring magnetic materials with electrically controlled spin polarization and room
temperature magnetic ordering is of particular importance for applications in spintronic …

Exploring effective detection strategies for toxic gases is important for environmental
protection. Herein, based on first principles study, we investigated the adsorption …