Graphene is an air-friendly material that can be easily p-doped by oxygen; therefore, a
stable, defect-free, and efficient graphene n-doping technique should be developed for …

Recently, two dimensional graphenelike ie Si 2 BN solid monolayer have attracted much
attention for the use of hydrogen developments. The work is based on first principles …

First-principles calculations have been performed to study Structure, Electronic and
Magnetic properties of 2D Graphene-Molybdenum diSulphide G-MoS 2 heterostructure (HS) …

Structural, energy and electronic properties of two-dimensional semiconductors are found to
differ from those inherent in natural ones, due to sp 2 hybridization caused by a decrease in …

We have performed density functional theory-based first-principles calculations to study the
stability, geometrical structures, and electronic/magnetic properties of pure graphene …

In this work, we investigated the geometrical structures, electronic and magnetic properties
of S sites vacancy defects in heterostructure graphene/molybdenum disulphide ((HS) G/MoS …

Many doping methods can affect graphene's electronic properties, but several of them
disrupt the underlying structure and lower the electrical mobility of graphene. As a result …

Context. Cosmic dust is ubiquitous in astrophysical environments, where it significantly
influences the chemistry and the spectra. Dust grains are likely to grow through the accretion …

Diabetes is a chronic health condition caused due to a metabolic disorder that results in high
blood sugar levels. Diabetes would be the seventh-prominent reason for mortality according …

We have performed density functional theory (DFT)-based first-principles calculations to
study the stability, geometrical structures, and electronic properties of a single palladium …