In the present study, we explored the sensing behavior of pristine gCN and transition metal
(Au, Ag, Pd and Pt) doped gCN monolayer for CO gas molecule using DFT calculations …

First-principle calculations were performed to investigate the adsorption behavior of NO 2
gas on the pristine graphitic carbon nitride (gCN) and transition metals (TM)-embedded gCN …

In the present study sensing behavior of pristine gCN and gCN-ZnO composite towards CO
and CO 2 gases has been analyzed using DFT. Structural and electronic properties such as …

The adsorption behavior of NO gas on the pristine graphitic carbon nitride (gCN) and
transition metal atoms (TM)‒embedded gCN systems (TM= Fe, Ru, and Os atoms) was …

The prompt detection of toxic gases like CO, NO 2, C 2 H 2, and C 2 H 4 is crucial for both
environmental preservation and industrial safety. In this work, we investigate the adsorption …

In this research, the potential application of metal-doped gC 3 N 4 as highly sensitive
molecule sensors for NO 2 detection was studied using density function theory (DFT) …

The adsorption performance of SO 2 on the P‒doped and transition metal (TM)/P‒codoped
graphitic carbon nitride (gCN) systems (TM= Co, Rh, and Ir elements) were studied by DFT …

Context In this research, CO2 and NO2 adsorption on doped nanographene (NG) sheets
with transition metals (Fe, Ni, Zn) and (Mn, Co, Cu), respectively, have been applied for …

The adsorption performance of hydrogen selenide (H 2 Se) on the Zn/P-, Cd/P-, and Hg/P-
modified graphitic carbon nitride (gCN) was theoretically investigated. The results of …

Adsorption mechanism studies of toxic gases (CH 2 O, SO 2, NH 3, CO, NO, and NO 2) on
pristine, one B-atom and Mo-atom (1B/Mo) and two B-atom and Mo-atom (2B/Mo) co-doped …