M-Encapsulated Be12O12 Nano-Cage (M = K, Mn, or Cu) for CH2O Sensing Applications: A Theoretical Study
DFT and TD-DFT studies of B3LYP/6–31 g (d, p) with the D2 version of Grimme's dispersion
are used to examine the adsorption of a CH2O molecule on Be12O12 and MBe12O12 nano …
are used to examine the adsorption of a CH2O molecule on Be12O12 and MBe12O12 nano …
Density functional theory based analyses of beryllium oxide fullerene assisted adsorptions of ammonia, phosphine, and arsine toxic gases towards sensing and …
CY Hsu, MJ Saadh, AG Taki, SK Mohammed… - Colloids and Surfaces A …, 2024 - Elsevier
The gas sensing and removal prospective was investigated in the current work to analyze a
beryllium oxide (BeO) fullerene for the adsorptions of ammonia (NH 3), phosphine (PH 3) …
beryllium oxide (BeO) fullerene for the adsorptions of ammonia (NH 3), phosphine (PH 3) …
The possibility of using the Zn (II) Butadiyne-linked porphyrin nanoring for detection and adsorption of AsH3, NO2, H2O, SO2, CS2, CO, and CO2 gases
MJ Saadh, MA Mustafa, BM Yaseen, S Ballal… - Computational and …, 2024 - Elsevier
The present research aims to study the probability of applying the Zn (II)-Butadiyne-linked
porphyrin (ZBPN) nanoring for detection and adsorption of some of the most important air …
porphyrin (ZBPN) nanoring for detection and adsorption of some of the most important air …
A theoretical study on adsorption and sensing of SO2, CS2, CO2, CH2O, H2O, C2H2, and CF3H air pollutant gases by B3S monolayer
MJ Saadh, N Juraev, MA Mustafa, A Yadav… - Structural Chemistry, 2024 - Springer
In the present work, with the aid of the density functional theory (DFT) method, we have
investigated the possibility of applying the B 3 S monolayer (B3SML) for sensing and …
investigated the possibility of applying the B 3 S monolayer (B3SML) for sensing and …
A theoretical approach on adsorption and detection of Ni and Co ions by applying the B3S monolayer
In this work, we have investigated the possibility of using the B 3 S Monolayer for sensing
and adsorption of the metallic forms Ni and Co atoms and their ions from the environment …
and adsorption of the metallic forms Ni and Co atoms and their ions from the environment …