DOI: 10.1039/d3ra02939e ISSN:
Yttrium- and zirconium-decorated Mg12O12–X (X = Y, Zr) nanoclusters as sensors for diazomethane (CH2N2) gas
Terkumbur E. Gber, Hitler Louis, Obinna C. Ngana, Ismail O. Amodu, Ernest E. Ekereke, Innocent Benjamin, Stephen A. Adalikwu, Adedapo Adeyinka- General Chemical Engineering
- General Chemistry
Azomethane (CH2N2) 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 CH2N2 adsorption on nanocages (C1, CY1, CZ1) and pristine MgO using DFT/ωB97XD method.