Novel microporous B6N6 covalent organic framework (COF) as an electrochemical sensor for the ultra-selective detection of nitroaniline isomers; a DFT outcome
Hasnain Sajid, Misbah Asif, Khurshid Ayub, Mazhar Amjad Gilani, Mohammed Salim Akhter, Tariq Mahmood
Topics & Concepts
Natural bond orbitalDensity functional theoryHOMO/LUMOMaterials sciencevan der Waals forceMoleculeSelectivityComputational chemistryBinding energyCovalent organic frameworkMolecular orbitalPhysical chemistryCovalent bondChemical physicsChemistryOrganic chemistryAtomic physicsPhysicsCatalysisCovalent Organic Framework ApplicationsLuminescence and Fluorescent MaterialsMetal-Organic Frameworks: Synthesis and Applications