In this research, the adsorption of targeted noxious gases like H2S, HF and H2 on penta-
PdAs2 monolayer are deeply studied by means of the density functional theory (DFT). After …

In this study, DFT calculations are used to analyze the adsorption of industrial waste gases
(NO2, SO2, H2S, and NH3) on WSe2 monolayers. The adsorption energy, energy band …

Lithium-ion batteries (LIBs) served as promising energy-storage solutions for various
applications, from portable electronics to electric-vehicles. There is a growing demand for …

With the wide application of lithium-ion batteries (LIBs) in different fields, safety accidents
occur frequently. Therefore, it is necessary to monitor the thermal runaway gas for an early …

In our research, we utilize density functional theory (DFT) to explore the properties of
magnesium and zinc atoms adsorbed on bismuthene. Our findings indicate that the hollow …

Detecting toxic gases, such as CH4, CO, and H2S, in everyday life holds great significance.
This research article focuses on investigating the adsorption characteristics of CH4, CO, and …

A novel method to enhance the response sensitivity of screen-printed graphene electrode
(SPGE) by modifying functionalized polypyrrole (PPy) is proposed. Functionalized PPy was …

We investigated the structural, electronic, adsorption, and magnetic properties of 3d
transition metals (TMs), including Ti, V, Cr, Mn, Fe, Co, Ni, and Cu, adsorbed on B 4 C 3 …

Nanomaterial-based room temperature gas sensors are used as a screening tool for
diagnosing various diseases through breath analysis. The stable planar structure of boron …

For spintronic devices, the adsorption of transition metal (TM) atoms may provide two-
dimensional (2D) materials with enhanced electrical and magnetic characteristics. Herein …