Half metallicity is a desirable property not only for spintronic devices but also for selective
gas sensing applications. The scope of the present investigation is to search/design …

First-principle calculations have been performed to study the sensing of CO gas in various
considered configurations. The adsorption of CO on zigzag BN nanoribbon (ZBNNR) and …

The advent of graphene and related 2-D materials has attracted the interest of the electron
device research community in the past 14 years. The possibility to boost the transistor …

Using the non-equilibrium Green's function formalism in combination with density functional
theory, we calculated the spin-dependent electronic properties of molecular devices …

We study the regulation of the electronic and spin transport properties of the WGe2N4
monolayer by adsorbing 4d transition metal atoms (Y–Cd) using density functional theory …

The intriguing properties of silicene nanoribbons indicate potential applications in
nanoelectronic devices. The first-principles calculation based on density functional theory …

The interaction of armchair graphene nanoribbons (AGNR) with F has been investigated by
considering it as a passivating element as well as adatom impurity. The adsorption of F at …

Gallium nitride (GaN) is a commonly used material for the high power electronic devices. Its
2D analog (layered GaN) can be a promising material in low power applications due to its …

We have investigated how the structural and electronic properties of armchair GaN
nanoribbons (AGaNNR) are affected under the influence of fluorine (F 2) molecule …

Zigzag and armchair graphene nanoribbons (ZGNR and AGNR) have been investigated
using the density functional theory (DFT) and nonequilibrium Green's function (NEGF) …