Abstract
We have performed Langevin dynamics calculations on a one-dimensional model for framework materials, focusing on the conductivity of interacting mobile ions in the presence of Coulombic traps. We observe several interesting phenomena, arising from competition among the three potentials (lattice, ion-ion, ion-trap). Findings of interest include: 1. Generally, the compensator will indeed trap a sufficient number of mobile ions to balance its charge. These ions can exchange, but they are quite well localized by the trap. 2. For incommensurate mobile-ion concentrations, the overall DC conductivity is decreased. 3. For commensurate concentrations, the DC conductivity can actually increase, as the trapping renders the remaining mobile-ion array effectively incommensurate.
Original language | English (US) |
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Pages (from-to) | 1325-1332 |
Number of pages | 8 |
Journal | Solid State Ionics |
Volume | 9-10 |
Issue number | PART 2 |
DOIs | |
State | Published - Dec 1983 |
Funding
We are grateful to A. Nitzan for extensive and valuable collaboration on thls entire project. This work was partly supported by the ARO, and partly by the NSF-MRL program through the Northwestern MRC (Grant #DMR-79-23573).
ASJC Scopus subject areas
- General Chemistry
- General Materials Science
- Condensed Matter Physics