Monolayered Silicon Carbide for Sensing Toxic Gases: a Comprehensive Study Based on the First-principle Density Functional Theory
Shreyas S. Dindorkar, Anshul Yadav
Topics & Concepts
Density functional theoryHOMO/LUMOMaterials scienceMolecular orbitalMoleculePhysisorptionSilicon carbideReactivity (psychology)Density of statesChemical physicsComputational chemistryPhysical chemistryChemistryOrganic chemistryCondensed matter physicsPhysicsComposite materialAdsorptionMedicineAlternative medicinePathologyGraphene research and applicationsBoron and Carbon Nanomaterials ResearchMXene and MAX Phase Materials