Carbon based two-dimensional (2D) materials with honeycomb lattices, like graphene,
polyaniline carbon-nitride (C 3 N) and boron-carbide (BC 3) exhibit exceptional physical …

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

Carbon nitride two-dimensional (2D) materials are among the most attractive class of
nanomaterials, with wide range of application prospects. As a continuous progress, most …

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 …

Abstract Sb 2 S 3 and Sb 2 Se 3 are well-known layered bulk structures with weak van der
Waals interactions. In this work we explore the atomic lattice, dynamical stability, electronic …

Employing first-principles calculations, the stabilities, electronic and optical properties of
halogenated diamane (C4X2; X= F, Cl, Br) are systematically investigated. In particular …

In this work we carried out density functional theory calculations combined with many-body
perturbation formalism to study the structural, electronic and optical properties of a …

Most recently, boron–graphdiyne, a π-conjugated two-dimensional (2D) structure made from
a merely sp carbon skeleton connected with boron atoms was successfully experimentally …

In this work, we extensively investigate the structural and electronic properties of van der
Waals heterostructures (HTs) constructed by MoS 2/BC 3, MoS 2/C 3 N, MoS 2/$ C_ {3} N …

Most recently, N-graphdiyne two-dimensional (2D) nanomaterials were successfully
experimentally realized at the gas/liquid and liquid/liquid interfaces. We accordingly …