Abstract 2D III‐nitride materials have been receiving considerable attention recently due to
their excellent physicochemical properties, such as high stability, wide and tunable …

Employing density-functional theory, G 0 W 0 approach, and solving Bethe–Salpter equation
(BSE), we investigate the effects of strain and surface modification (hydrogenation or …

Employing first-principles calculations, effects of hydrogenation on the structural, electronic,
and optical properties of AB-stacked GaN bilayer are explored systematically …

Nanotechnology can help to address the existing efficiency hurdles and greatly increase the
generation and storage of solar energy. A variety of physical processes have been …

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

The optical properties of a hexagonal Boron Nitride, BN, monolayer across the UV spectrum
are studied by tuning its planar buckling. The strong σ-σ bond through sp 2 hybridization of a …

We consider electronic and optical properties of group III-Nitride monolayers using first-
principle calculations. The group III-Nitride monolayers have flat hexagonal structures with …

In this work, a new direct gap semiconductor, the Na2S monolayer in the 1H-phase, with
good stability and ionic character, has been explored using first-principles calculations. A Γ …

the International Energy Agency addresses critical challenges for the study, development,
and implementation of renewable energy technologies for the long term. In the energy …

The last few decades have seen an immense development of interest in two-dimensional
materials, which can be integrated in either mono-, bi-, tri-or tetra-layer form. The tuning of …