Probing the influence of defects and Si-doping in graphene sheet as an efficacious carrier for drug delivery system in gas and aqua phases - Combined DFT and classical MD simulation
Deepak Arumugam, Mohanapriya Subramani, Ravichandran Durai, Anitha Sambasivam, R. Shankar
Topics & Concepts
GrapheneAdsorptionDensity functional theoryDopingDrug deliveryMaterials scienceNanotechnologyChemical engineeringChemistryComputational chemistryPhysical chemistryOptoelectronicsEngineeringGraphene research and applicationsGraphene and Nanomaterials ApplicationsFullerene Chemistry and Applications