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Interfacial Na-ion Localization in Hierarchical Carbon Anodes

Dayton Kizzire
Department of Materials Science & Engineering, University of Tennessee

This page shows a visualization of a single, sodiated carbon nanocrystallite. The original structure was created by Dr. Nick McNutt at University of Tennessee.

The visualization below shows Na-ions attempting to migrate out of the initial intercalated positions to the interfacial boundary of the crystalline and amorphous carbon domains in the hierarchical carbon anode. The hydrogen dense interfacial boundary is the most energetically favorable local environment for the Na-ions and creates a fundamentally different ion-storage mechanism than in traditional graphitic anodes. The Na-ions are unable to make the transitions because of their size. Once the sodium ions have entered an intercalated state, they become bound and the graphene planes seem to curve around the Na-ions, ensuring their capture. The encapsulating amorphous carbon and hydrogen have been made invisible for clarity. 1

Interactive Structures

Color Legend:

  • Grey = Carbon
  • Purple = Ni-ion


1. N.W. McNutt, O. Rios, V. Maroulas, D.J. Keffer, "Interfacial Li-ion Localization in Hierarchical Carbon Anodes", Carbon, 111, (2016), doi: 10.1016/j.carbon.2016.10.061.

posted: April 2018.
updated: April 2018.