Aluminium phosphide (Al<sub>12</sub>P<sub>12</sub>) nanocage as a potential sensor for volatile organic compounds: A DFT study
Mahmoud A. A. Ibrahim, M. Hamad, Nayra A. M. Moussa, Omar H. Abd‐Elkader, Shaban R. M. Sayed, Muhammad Naeem Ahmed, Ahmed M. Awad Abouelata, Tamer Shoeib
Abstract
The potentiality of the aluminium phosphide (Al 12 P 12 ) nanocage as a prospective sensor material towards methanol (MeOH) and ethanol (EtOH) molecules was investigated using density functional theory computations.
Topics & Concepts
NanocagesPhosphideAluminiumMethanolDensity functional theoryEthanolMaterials scienceMoleculeChemistryChemical engineeringInorganic chemistryMetallurgyOrganic chemistryComputational chemistryMetalCatalysisEngineeringBoron and Carbon Nanomaterials ResearchNonlinear Optical Materials Research2D Materials and Applications