Metals (Ga, In) decorated fullerenes as nanosensors for the adsorption of 2, 2-dichlorovinyldimethylphosphate agrochemical based pollutant
Owing to the fact that the use of 2, 2-dichlorovinyldimethylphosphate (DDVP) as an
agrochemical has become a matter of concern due to its persistence and potential harm to …
agrochemical has become a matter of concern due to its persistence and potential harm to …
The iron group transition-metal (Fe, Ru, Os) coordination of Se-doped graphitic carbon (Se@ gC 3 N 4) nanostructures for the smart therapeutic delivery of zidovudine …
This study employed density functional theory (DFT) computational techniques at the
ωB97XD/def2svp level of theory to comprehensively explore the electronic behavior of Fe …
ωB97XD/def2svp level of theory to comprehensively explore the electronic behavior of Fe …
Single-atoms (N, P, S) encapsulation of Ni-doped graphene/PEDOT hybrid materials as sensors for H2S gas applications: intuition from computational study
This comprehensive study was dedicated to augmenting the sensing capabilities of Ni@
GP_PEDOT@ H2S through the strategic functionalization with nitrogen, phosphorus, and …
GP_PEDOT@ H2S through the strategic functionalization with nitrogen, phosphorus, and …
Single-atoms (B, P, S, Si) doping of Pt-coordinated graphitic carbon nitride (Pt@ g-C3N4) nanostructured as sensors for Buprofezin (BPF) insecticide: Outlook from …
As global agriculture seeks to reduce the reliance on conventional insecticides with
potentially harmful effects for modern agriculture and insect-pest control practices, we …
potentially harmful effects for modern agriculture and insect-pest control practices, we …
Molecular simulation of Cu, Ag, and Au-decorated Molybdenum doped graphene nanoflakes as biosensor for carmustine, an anticancer drug
CM Chima, H Louis, D Charlie, A Imojara… - Materials Science in …, 2023 - Elsevier
This study delves into the fascinating realm of molybdenum-doped graphene (Mo@ GP)
complexes, featuring captivating adsorption sites for oxygen (O) and chlorine (Cl), adorned …
complexes, featuring captivating adsorption sites for oxygen (O) and chlorine (Cl), adorned …
Detection of cyanogen (NCCN) on Ga-, In-, and Tl-doped aluminium nitride (AlN) nanotube: insights from quantum chemical calculations
OC Ngana, TE Gber, KM Al-Ahmary… - Journal of Nanoparticle …, 2024 - Springer
Cyanogen gas has been reported to be poisonous and poses a great threat to human life
when been exposed to its high concentration. Hence, the need to develop sensor materials …
when been exposed to its high concentration. Hence, the need to develop sensor materials …