A density functional theory study on the adsorption of the β-lapachone anti-cancer drug onto the MB11N12 (M = au, Rh and Ru) nanoclusters as a drug delivery
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The structural and electronic properties of the pristine and metal(M)-doped B12N12 (M = Ru, Rh and Au) nanoclusters were systematically analyzed using DFT calculations. The results indicate that the B12N12 behaves like a semiconductor with a substantial HOMO-L... ...
