Density Functional Study of the adsorption behavior of 6-mercaptopurine on Primary, Si, Al and Ti doped C60 fullerenes
ShiQuan Wu, Limin Lu, Li Li, Qi-Qi Liang, Hua-Xu Gao, Xian‐Hao Zhao, De‐Yuan Hu, Tianyu Tang, Yan-Lin Tang
Topics & Concepts
FullereneSolvationDensity functional theoryDopingAtom (system on chip)Computational chemistryBinding energyAdsorptionMaterials scienceChemical physicsCarbon atomPhysical chemistryMoleculeChemistryAtomic physicsOrganic chemistryOptoelectronicsPhysicsComputer scienceAlkylEmbedded systemFullerene Chemistry and ApplicationsGraphene research and applicationsBoron and Carbon Nanomaterials Research