A density functional theory study on the origin of lithium- montmorillonite's conductivity at low water content: A first investigation

Triati Dewi Kencana Wungu, Febdian Rusydi, Hermawan Kresno Dipojono, Hideaki Kasai

Research output: Contribution to journalArticlepeer-review

7 Citations (Scopus)

Abstract

The nature of electric charge carriers of Lithium-montmorillonite at low water content has been investigated using density functional theory (DFT) calculation. Results show that in the presence of H 2O molecule, the Li easily migrates from the MMT surface to a distance above the surface with the barrier for Li migration of 0.09 eV. We found the possibility of Li as charge carrier in the H 2O/Li-montmorillonite.

Original languageEnglish
Pages (from-to)1862-1866
Number of pages5
JournalSolid State Communications
Volume152
Issue number19
DOIs
Publication statusPublished - Oct 2012
Externally publishedYes

Keywords

  • A. Lithium-montmorillonite
  • D. Conducting cation
  • D. Conducting proton

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