Effects of B and N doping/codoping on the adsorption behavior of C60 fullerene towards aspirin: A DFT investigation
Fateme Nattagh, Sharieh Hosseini, Mehdi D. Esrafili
Topics & Concepts
FullereneAdsorptionMoleculeDensity functional theoryDesorptionSolventDopingCovalent bondElectron densityChemistryComputational chemistryMaterials scienceChemical physicsPhysical chemistryElectronOrganic chemistryOptoelectronicsQuantum mechanicsPhysicsFullerene Chemistry and ApplicationsPolymer Nanocomposite Synthesis and IrradiationGraphene research and applications