Abstract
We use all-atom molecular dynamics simulations to investigate ionic conduction in a short, charged, single-wall carbon nanotube. They reveal ionic Coulomb blockade (ICB) oscillations in the current as a function of the fixed charge on the wall, and an associated occupancy staircase. Current peaks related to fluctuations around the 2 → 1 and 1 → 0 steps in occupancy are clearly resolved, in agreement with ICB theory. Current peaks were also observed at constant occupancy. These unpredicted secondary peaks are attributed to edge effects involving a remote knock-on mechanism; they are attenuated, or absent, for certain choices of model parameters. The key parameters of the system that underlie the current oscillations are estimated using ICB theory and the potential of the mean force. Future perspectives opened up by these observations are discussed.
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