We investigated the adsorption of boron trifluoride (BF 3) gas molecules on graphdiyne
nanotube (G2YNT) based on first-principles studies. We ensured the stability of G2YNT …

The interrelation of toxic vapors ethylene dichloride (EDC) and ethylene dibromide (EDB)
with the sensory base material blue phosphorene nanosheet (BLPNS) is studied using ab …

In order to confirm the ability of bismuthene nanosheet in detecting the G-series nerve
agents, electronic and adsorption properties are investigated. The alteration in the band gap …

In recent days, humans are easily exposed to many work-related health issues. N-
nitrosodiethylamine (NDE), which is considered to be a harmful carcinogenic agent released …

We utilized two-dimensional (2D) monolayer bismuthene nanosheet (BiNS) as the sensing
material for detecting the hazardous vapor molecules benzyl chloride (BC) and …

We systematically investigated the adsorption characteristics of chronic obstructive
pulmonary disease (COPD) biomarker volatiles on violet phosphorene with density …

The pressure induced theoretical investigations of electronic, optical and elastic constants of
cubic zirconia (c-ZrO 2) are estimated under the effect of hydrostatic pressure (0–40 GPa) by …

In the current work, we employ pristine antimonene nanosheet (SbNS), Sn and Te
substituted SbNS as a base substrate for the adsorption of diethanolamine (DEA) and …

The structural, mechanical, mechanical anisotropy, electronic properties and X-ray
diffraction (XRD) pattern of BC8 carbon were investigated utilizing density functional theory …

In the present model, we aim to sense the availability of organic compounds, benzyl chloride
and chlorobenzene with the help of violet phosphorene (VP). In order to enunciate the …