Sensing of the toxic gases plays a vital role in the human life to improve their health aspects
and the quality of life. Using the first-principles calculations combined with density functional …

Hydrogen cyanide (HCN) is one of the hazardous gas and requires sensitive detection
material. In the present work stable structures, adsorption analysis, charge transfer and …

Nanomaterials have been used for different applications including sensing environmental
gases. Exposure to hazardous gas in the environment leads to major health issues such as …

The goal of present study is to explore how the size and functionalization of graphene
quantum dots (GQDs) affect their sensing capabilities. Specifically, we investigated the …

We explore a novel sensor for detection of phosgene gas by graphene derivatives such as
pristine and doped graphene nanoribbons via first principles calculations. The interaction of …

This research uses the efficiency of nanostructured Al 24 N 24 for the rapid detection and
sensing of phosgene and mustard chemical warfare agents (CWA). Frontier molecular …

The adsorption of methane (CH 4) gas is explored on the graphene nanoribbon (GNR) and
doped GNR surface by first principle investigation. In present work, doping of GNR with …

A theoretical Density-functional theory (DFT) study has been carried out to explore the
interaction of highly toxic gases carbon monoxide (CO), phosphine (PH 3) and stibine (SbH …

Achieving a cleaner and more sustainable environment relies on the precise identification
and elimination of toxic gases. Addressing this imperative, our current study utilizes a …

Tin dioxide is a low-cost and efficient material with large potential in applications of
hydrogen detection. Doping metals in SnO 2 is a solution to further improve its electrical …