N-Nitrosamine sensing properties of novel penta-silicane nanosheets—a first-principles outlook
V. Nagarajan, R. Ramesh, R. Chandiramouli
Topics & Concepts
Density functional theoryAdsorptionChemistryNitrosamineMulliken population analysisSilicenePhysisorptionBand gapElectronic structureComputational chemistryPhysical chemistryMaterials scienceOrganic chemistrySiliconOptoelectronicsCarcinogenBoron and Carbon Nanomaterials ResearchGraphene research and applications2D Materials and Applications