Abstract 2D III‐nitride materials have been receiving considerable attention recently due to
their excellent physicochemical properties, such as high stability, wide and tunable …

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 …

In this work, we have investigated the sensitivity of two Volatile Organic Compounds (VOCs),
formaldehyde (FD) and acetaldehyde (AD) on the surface of two-dimensional (2D) Armchair …

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 …

Using first-principles within density functional (DFT) theory, adsorption of CO, CO2, and O3
gas molecules on pristine B24N24 (BN) and Silicon-decorated B24N24 (SiBN) nanosheets …

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

The efficient detection of toxic gases and development of compact, low dimensional sensors
is the center of research activities in the past two decades. In this direction, here we gauged …

Electronic state of a material is an arrangement allowed by the laws of quantum mechanics
of electrons within an atom, molecule or system of molecules. Low-cost nano materials …

The design of efficient, low dimensional sensors is an active topic of research and
development. Here, we study the adsorption of SO 2 molecules on the edges of III–V nitride …

The usage of reconstructed zigzag graphene nanoribbon (RZGNR) as a sensor for nitrogen
based chemicals is being analyzed. The principle of sensing is based on reaction of …