From fundamental to CO<sub>2</sub> and COCl<sub>2</sub> gas sensing properties of pristine and defective Si<sub>2</sub>BN monolayers
Siby Thomas, Ajith Kulangara Madam, Mohsen Asle Zaeem
Abstract
In this work, the capability of Si 2 BN monolayers (Si 2 BN-MLs) to sense CO 2 and COCl 2 molecules was investigated by analyzing the structural, electronic, mechanical and gas sensing properties of defect-free and defective Si 2 BN-ML structures.
Topics & Concepts
PhysisorptionMonolayerAdsorptionMoleculeVacancy defectDesorptionWork functionChemical physicsWork (physics)ChemistryChemisorptionSelectivityMaterials scienceNanotechnologyPhysical chemistryCrystallographyThermodynamicsCatalysisOrganic chemistryPhysicsElectrodeMXene and MAX Phase MaterialsBoron and Carbon Nanomaterials Research2D Materials and Applications