Ionic insertion and exchange and ionic diffusion inside the MXene (Ti3C2(OH)2) slit nanopore during galvanostatic cycling process is simulated.
Charge storage takes place by a fast counter-ion insertion and counter-ion/co-ion exchange during charge/discharge process.
Spatial distribution of ions and orientation of cation dipoles vary cyclically to screen the external electric potential.
A complement to the restriction of the in situ measurements in understanding the underlying charge storage mechanism.