Abstract The Volatile Organic Compounds like ortho-xylene and styrene are toxic to humans.
Hence, the detecting potency of the 5–8 defect induced Phosphorene nanosheet towards …

The global optimization of metal cluster structures is an important research field. The
traditional deep neural network (T-DNN) global optimization method is a good way to find …

The SIESTA package is employed in examining the electronic and adsorption features of the
toxic asphyxiants hydrogen cyanide (HCN) and cyanogen chloride (NCCl) on armchair …

Utilizing a customized metal cluster source in tandem with a flow tube reactor and a
reflectron time-of-flight mass spectrometer, we have obtained well-resolved pure metal …

CO selective catalytic reduction (CO‐SCR), a promising technology for simultaneous
removal of harmful CO and NO in exhaust gases, has attracted much attention in recent …

The adsorption of hexane and heptane on delta arsenene nanoribbon (delta-AsNR) are
studied with regard to the density functional theory method. Firstly, the structural stability of …

We ascertained the structural firmness of β-antimonene nanotube and studied the
adsorption behaviour of sulfadimethoxine (SM) and tetracycline (TC) molecules on the base …

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 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 …

Understanding the catalytic decomposition of nitrous oxide on finely divided transition
metals is an important environmental issue. In this study, we present the results of a …