Adsorption of HCN molecules on Ni, Pd and Pt-doped (7, 0) boron nitride nanotube: a DFT study
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DOI: 10.1080/00268976.2018.1426129
Abstract: ABSTRACT We studied affinity of pure and Ni, Pd and Pt-doped (7, 0) boron nitride nanotubes (BNNTs) to toxic HCN molecules using density functional theory calculations. The results indicated that the pure (7, 0) BNNTs… read more here.
Keywords: boron nitride; adsorption hcn; hcn; hcn molecules ... See more keywords