The hydrogen evolution reaction (HER) presents an environmentally friendly, efficient, and
cost-effective way to produce hydrogen fuel. Recently, two-dimensional (2D) transition metal …

Bacterial infections have seriously threatened human health and the abuse of natural or
artificial antibiotics leads to bacterial resistance, so development of a new generation of …

In the present work, the structural and optoelectronic properties of pristine and strained
hexagonal Hf 2 Br 2 N 2 monolayer have been investigated using the first-principles …

In this study, the photovoltaic performance of van der Waals heterostructure (v-HS)
PtS2/ZrS2 has been examined using density functional theory based on first-principle …

In this investigation, the structural, electronic, and optical properties of two-dimensional van
der Waals heterostructure (vdwHS) PtSe2/GaSe with three different configurations have …

Piezoelectric materials can make substantial contributions to resolve the overall energy
crisis by providing a renewable energy solution. With the present increase in the number of …

In this paper, detailed investigations of the electronic and optical properties of a Janus
SnSSe monolayer under a biaxial strain and electric field using ab initio methods are …

In this work, the structural, electronic and optical properties of monolayer and bilayer of
boron doped C3N are investigated by means of density functional theory-based first …

The combination of graphene (GR) and monolayer MoSi2N4 has attracted much attention;
however, the comprehension of its electrical contact modulation is still not fully explored …

The formation of a pn junction consisting small-sized, and homogeneous material over the
porous semiconductor is an effective strategy for improved photoelectrocatalytic (PEC) water …