MRS Proc. 2001 DOI: 10.1557/proc-706-z8.8.1 View full text
Vincent Meunier, Jeremy Kephart, Christopher Roland, Jerry Bernholc

Abstract: AbstractCarbon nanotube systems can substantially increase their capacity for Li ion uptake, provided that the nanotube interiors become accessible to the ions. We examine theoretically, with ab initio simulations, the ability of Li ions to enter a nanotube interior. While our calculations show that it is quite unlikely for the ions to pass through pristine nanotubes, they are much more likely to enter via large-sized topological defects consisting of at least 9- or more membered rings. It is unlikely that suc…

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