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Adsorption of proteinogenic amino acid on Al- and C-doped boron nitride nanotube (BNNT)

As such, the study apparently sought to examine the adsorption of the proteinogenic amino acid (proline) on the bare surfaces of carbon boron nitride, boron nitride, and boron nitride doped with the aluminum element nanotubes. In accordant with the geometric optimization, different dispersion models: PBE0, ωB97XD, M06-2X, and B3LYP-D3(GD3BJ) were used; note that the latter is used only in wave function analysis studies. |