Monolayer hexagonal boron–nitrogen–carbon (h-BNC) is considered a prominent candidate
for the next generation of semiconductor electronic devices. Nevertheless, experimental …

Phase stability for monolayer boron-carbon-nitride (BNC)(l-BNC) ternary system was
examined by Monte Carlo simulations and the cluster expansion technique based on first …

Motivated by recent experimental realization of the hybrid nanostructures of graphene and
hexagonal boron nitride (h-BN) sheet, we have investigated the modification in the …

Understanding the interaction between nanoscale materials and nucleobases is essential
for their use in nanobiotechnology and nanomedicine. Our ab initio calculations indicate that …

The equilibrium geometry, energetic, and electronic properties of antisites and vacancies in
BC 2 N nanotubes are studied by spin density-functional calculations. We investigate these …

Two-dimensional (2D) BNSi 2 has been recently proposed to be a viable candidate material
with a graphenelike structure. We have carried out ab initio evolutionary ground state …

The structural stability, electronic structure, elasticity, and optical properties of four types of
monolayer BC 2 N have been investigated from first principles using calculation based on …

We explored the aspirin adsorption and their hydrogen evolution reaction (HER) activity in
waste water of borocarbonitride sheets. Our results indicate that BCN sheets considered …

Borophene with diverse geometries and rich electronic properties has attracted great
research interest over the past few years due to its multicenter bonding characteristics …

The (BN) 1− x (C 2) x alloys are promising materials for band-gap engineering in two-
dimensional electronics. In this work, we provide a complete scenario of statistical …