Chemical functionalization of boron-nitride nanotubes with NH3 and amino functional groups.

Abstract

We have investigated properties of chemically modified boron nitride nanotubes (BNNTs) with NH(3) and four other amino functional groups (NH(2)CH(3), NH(2)CH(2)OCH(3), NH(2)CH(2)COOH, and NH(2)COOH) on the basis of density functional theory calculations. Unlike the case of carbon nanotubes, we found that NH(3) can be chemically adsorbed on top of the boron… (More)

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