Graphene is the strongest material ever studied and can be an efficient substitute for silicon.
This six-volume handbook focuses on fabrication methods, nanostructure and atomic …

Abstract Using Monte Carlo simulation, we examine the dynamic magnetic properties of a
double-layer core/shell graphene nanoribbon which is subjected to a time-dependent …

The adsorption energy, electronic structure, lattice vibration and magnetic properties of Cr,
Mn and Fe doped graphene with and without HCN adsorption are investigated by the first …

Role of elemental oxygen atom as a terminating element on the electronic and transport
properties of germanene nanoribbons (GeNRs) has been investigated using the density …

First-principle calculations under the framework of density functional theory have been
performed to study the adsorption of COCl 2 (Phosgene) gas molecule on armchair boron …

The present work exhibits density functional theory (DFT) based first-principles calculations
to explore the sensing properties of bare armchair boron nitride nanoribbons (ABNNR) for …

The density functional theory based first-principles calculations have been employed to
explore the chlorine sensing properties of zigzag boron nitride nanoribbons (ZBNNR). The …

We have performed density-functional calculations of the transport properties of the zigzag
graphene nanoribbon (ZGNR) adsorbed with a single iron atom. Two adsorption …

First-principles investigations have been performed to explore the spin based electronic and
transport properties of asymmetrically H-terminated zigzag germanene nanoribbons …

In this paper, by using the density functional theory, we have comprehensively investigated
the magnetic properties of an armchair graphene nanoribbon (AGNR) passivated by …