Single atom catalysts (SACs) have become the frontier research fields in catalysis. The M 1-
N xC y based SACs, wherein single metal atoms (M 1) are stabilized by N-doped …

The recent advances in single-atom applications have shown that it is possible to
manipulate the materials' properties by controlling its structure at the atomic level …

Nitrogen oxide (NO) is a major worldwide environmental pollutant, which can be eliminated
effectively by catalytic oxidation. However, conventional catalysts generally suffer from poor …

In order to explore the intrinsic properties of single-atom (SA) catalysts, the different kinds of
coordinated atoms (typically Bx and Ny) within graphene (BxNy–graphene, x+ y= 1–3) can …

Today, resistance gas sensors which are mainly realized from metal oxides are among the
most used sensing devices. However, generally, their sensing temperature is high and other …

The construction of van der Waals (vdW) heterostructures is an efficient strategy for attaining
more desired specifications. According to first-principles calculations, the WSe 2/HfSe 2 vdW …

A high concentration of F (Cl) element in drinking water threatens people's health. Hence, in
this work, we systematically investigated the F and Cl atoms adsorption on pristine graphene …

In the framework of density functional theory approach, we have reported on the results of
the adsorption of some small gas molecules on the Au-and Pt-adsorbed SnS 2 monolayers …

There is significant interest in developing new two-dimensional (2D) materials that can be
utilized as stable and sensitive sensors for toxic gas detection. Here, we study the …

In this work, we have investigated the adsorption behavior of small gas molecules like CO,
NO, CO 2, NO 2 and NH 3 on Yttrium (Y) doped SnS 2 monolayer by employing density …