Alkali metal-doped borospherenes M@CB (M = K, Na, and Li) as a highly efficient alternative for the drug delivery.

Context: Nanomaterials enjoy a great surface-to-surface area ratio, small size, extremely high stability, satisfactory bio-compatibility, improved permeability, specificity in receptor targeting, and tunable lifetime. This paper investigates alkali metal-doped borospherenes M@C4B32 (in which M denotes K, Na, and Li) as a highly efficient alternative for the delivery of drugs using density functional theory (DFT) calculations. A borospherene with a B nanocage doped with four C atoms (i.