With a rising emphasis on public safety and quality of life, there is an urgent need to ensure
optimal air quality, both indoors and outdoors. Detecting toxic gaseous compounds plays a …

Heavy metals pose a significant threat to ecosystems and human health because of their
toxic properties and their ability to bioaccumulate in living organisms. Traditional removal …

This work using the first-principles theory studies the physicochemical properties Rh-
decorated pristine and S-defected PdS 2 monolayer, named Rh@ PdS 2 and Rh-PdS 2 …

Toxic gas sensing is always a research hotspot in environmental protection, agricultural
monitoring, industrial manufacture and human safety. In this work, we perform the first …

Nowadays, it is very important to make suitable materials that are capable of detection of
toxic gas molecules (CO, NO and NH 3) as well as their disposal from the atmosphere to …

The quantum confinement and size effects make graphene quantum dots (GQDs)
remarkable candidates for sensing applications. Gas molecules can easily be adsorbed on …

The hazardous gases CO, NO and NH 3 can cause significant damage to the environment
and human health which makes a necessity to develop a suitable sensing material to …

Based on density functional theory, this work first investigates the Pd-decorating property on
the pristine WTe2 monolayer and then simulates the adsorption performance of a Pd …

Upon the adsorption and sensing of C 2 H 2 and C 2 H 4, we purpose pristine WTe 2
monolayer as a promising candidate and uncover the enhanced mechanism of Ni-do** …

The development of efficient B12N12-based toxic gas sensors has received considerable
attention from the scientific community. Thus, in this regard, quantum chemical calculations …