Yttrium- and zirconium-decorated Mg<sub>12</sub>O<sub>12</sub>–X (X = Y, Zr) nanoclusters as sensors for diazomethane (CH<sub>2</sub>N<sub>2</sub>) gas
Terkumbur E. Gber, Hitler Louis, Obinna C. Ngana, Ismail O. Amodu, Ernest E. Ekereke, Innocent Benjamin, Stephen A. Adalikwu, Adedapo S. Adeyinka
Abstract
Azomethane (CH 2 N 2 ) presents a notable hazard as a respiratory irritant, resulting in various adverse effects upon exposure. Environmental research seeks sensitive sensor materials for its detection. This study analyzes CH 2 N 2 adsorption on nanocages (C1, CY1, CZ1) and pristine MgO using DFT/ωB97XD method.
Topics & Concepts
YttriumZirconiumNanoclustersMaterials scienceDiazomethaneInorganic chemistryChemistryPhysical chemistryCrystallographyAnalytical Chemistry (journal)NanotechnologyMetallurgyOrganic chemistryOxideCrystal Structures and PropertiesLuminescence Properties of Advanced Materials