Since its advent, graphene has been hailed as a revolutionary two-dimensional (2D) carbon-
based nanomaterial for the 21st century. At present, graphene-family nanomaterials (GFNs) …

Detecting and monitoring air-polluting gases such as carbon monoxide (CO), nitrogen
oxides (NOx), and sulfur oxides (SOx) are critical, as these gases are toxic and harm the …

The aim of this article is to investigate the sensing performance of NO gas molecule on the
graphene nanoribbon domain for the determination of structural and electronic properties …

The manuscript mainly explores the adsorption behavior and related parameters of Cu n
and Pd n (n= 1–3) clusters modified MoSe 2 substrates for thermal runaway gases (CO, CO …

In this study, density functional theory calculations were adopted to investigate the
adsorption of toxic gases (NH 3, NO 2, and SO 2) on Au n (n= 1–3) doped MoTe 2 …

Half metallicity is a desirable property not only for spintronic devices but also for selective
gas sensing applications. The scope of the present investigation is to search/design …

We predict the CO 2, NO, NO 2 and SO 2 gas molecule absorption and sensing performance
of transition metal (Fe, Ni, Co and Cu) doped graphene by a systematic density functional …

Purpose The purpose of this paper is to investigate the ability of transition metals (TMs) of
iron-, nickel-and zinc-doped graphene nanosheet for adsorption of toxic gas of nitric oxide …

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 development of superior performance and safety metal free sensors for harmful gas
detection is of great significance, but it is still challenging. In this study, we developed a new …