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Adsorption of toxic hydrazine (N2H4) at the surface of pristine and Al-doped single-wall boron nitride nanotubes (BNNTs and Al-BNNTs) has been investigated using density functional theory (DFT). Single hydrazine molecule was allowed to interact with Lewis acid center (i.e., B atom) of BNNTs, where most stable gauche conformer of the guest is used. Both zigzag (8,0) and armchair (4,4) variants of BNNTs...