Interaction of Lithium Atoms with Graphitic Walls

AIP Conference Proceedings - Electronic Properties of Novel Materials: XIV International Winterschool, Ed. H. Kuzmany, J. Fink, M. Mehring and S. Roth, World Vol. 544, p. 376 - 379 (2000)

Interaction of Lithium Atoms with Graphitic Walls

J. Arellano, L.M. Molina, M.J. López, A. Rubio, J.A. Alonso

The interaction of a Li atom with a graphitic layer has been calculated using density functional theory. The presence of an heptagonal defect lowers the barrier for passage through the layer so much that it provides a plausible route for intercalation in multiwalled carbon nanotubes.

Additional Information

Doi
http://dx.doi.org/10.1063/1.1342537
Notes
Electronic Properties of Novel Materials: XIV International Winterschool, Ed. H. Kuzmany, J. Fink, M. Mehring and S. Roth, World (2000)

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