Ab initio investigations of lithium diffusion in carbon nanotube systems

Vincent Meunier, Jeremy Kephart, Christopher Roland, Jerry Bernholc

Research output: Contribution to journalArticlepeer-review

232 Scopus citations

Abstract

An analysis of lithium diffusion in carbon nanotube systems using ab initio investigations was performed. A multigrid code with a real-space grid was used to perform the ab initio density functional-based calculations. It was observed that the capacity of Li-ion batteries improved using Li-nanotube systems in nanotube exteriors and interiors. It was also suggested that damaging the nanotube ropes using chemical or mechanical means superior material for electrochemical storage can be obtained.

Original languageEnglish (US)
Article number075506
Pages (from-to)755061-755064
Number of pages4
JournalPhysical review letters
Volume88
Issue number7
StatePublished - Feb 18 2002

All Science Journal Classification (ASJC) codes

  • General Physics and Astronomy

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