High sensitivity of graphdiyne nanoflake toward detection of phosgene, thiophosgene and phosogenoxime; a first-principles study
Sidra Khan, Hasnain Sajid, Khurshid Ayub, Tariq Mahmood
Topics & Concepts
PhosgeneChemistryHOMO/LUMOGraphyneNatural bond orbitalPhotochemistryMolecular orbitalComputational chemistryDensity functional theoryOrganic chemistryMoleculeAdvanced biosensing and bioanalysis techniquesMolecular Junctions and NanostructuresElectrochemical sensors and biosensors