Exploration of phosphorene as doxorubicin nanocarrier: An atomistic view from DFT calculations and MD simulations
Razieh Esfandiarpour, Farideh Badalkhani‐Khamseh, Nasser L. Hadipour
Topics & Concepts
PhosphoreneNanocarriersNanosheetDensity functional theoryMolecular dynamicsAdsorptionMaterials scienceMoleculeComputational chemistryDoxorubicinBinding energyWork (physics)DiffusionChemical physicsChemistrySolventPhysical chemistryThermodynamicsNanoparticleNanotechnologyAtomic physicsPhysicsOrganic chemistryMedicineChemotherapySurgeryMonolayerBoron and Carbon Nanomaterials ResearchMXene and MAX Phase Materials2D Materials and Applications