LAUSR

Unexpected spontaneous dynamic oxygen migration on carbon nanotubes.

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0 Published in 2021 at "Nanoscale"

DOI: 10.1039/d1nr03251h

Abstract: Combining density functional theory (DFT) calculations and ab initio molecular dynamics (AIMD) simulations, we show that oxygen functional groups exhibit unexpected spontaneous dynamic behaviors on the interior surface of single-walled carbon nanotubes (SWCNTs). The hydroxyl… read more here.

Keywords: carbon; unexpected spontaneous; migration; oxygen migration ... See more keywords