Lithium‐ion batteries (LIBs) have established themselves as the preferred power sources for
both pure electric and hybrid vehicles, attributable to their exceptional characteristics …

Monolayer two-dimensional phosphorus carbide (γ-PC) has been intensively studied as a
promising anode material for lithium-ion batteries with first-principles calculations. The …

First-principles simulations demonstrate the anisotropic and high mobility in the new group
monolayer IV–V semiconductors. The strain-engineered bandstructure reveals the …

The strain engineering tunable electronic properties of two-dimensional γ-GeSe were
systemically investigated by using density-functional calculations. Results indicate the …

Phosphorene is demonstrated to have a great potential in the electronics applications. In this
work, the first-principle calculations are employed to predict the mechanical properties and …

Two-dimensional heterostructures formed by stacking layered materials play a significant
role in condensed matter physics and materials science due to their potential applications in …

Opening the graphene zero bandgap and simultaneously keeping its linear electronic
dispersion has been widely accepted as a very challenging scientific puzzle. Moreover, one …

Owing to its excellent mechanical properties, two-dimensional (2D) titanium dioxide (TiO 2)
nanosheets allow the introduction of huge strain and complex strain fields without fracture. It …

In the present paper, we study the impacts of possible uni-, bi-, and tri-axial strains on the
electronic band gap of phosphorene using the density of states (DOS) quantity through the …

In this paper, the structural and electronic properties of P/SnBr2 heterojunctions were
investigated using the first-principles calculation method based on the density functional …