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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

2023Journal of Physics and Chemistry of Solids20 citationsDOI

Topics & Concepts

GrapheneAdsorptionDensity functional theoryDopingDrug deliveryMaterials scienceNanotechnologyChemical engineeringChemistryComputational chemistryPhysical chemistryOptoelectronicsEngineeringGraphene research and applicationsGraphene and Nanomaterials ApplicationsFullerene Chemistry and Applications
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 | Litcius