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Phenol adsorption on the external surface of H-capped pristine, Ga-doped, and Pd-decorated (6,0) zigzag boron phosphide nanotubes (BPNTs) was studied by using density functional theory (DFT) calculations. The results indicate that the hydroxyl group of phenol prefers to attach to the Ga and Pd sites and thus the Ga-doped and Pd-decorated (6,0) can be used for removing phenol. The calculated adsorption...
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