Distribution Difference of Ag and Cu Ions in the Superionic Conductive Phase of AgBr-CuBr System: An Approach towards Molecular Dynamics Simulation

Abstract

The structural features of the superionic phase for (AgxCux-1)Br of x<0.5, which contains two kinds of moveable cations, Ag+ and Cu+, were investigated using molecular dynamics modelling.In the superionic phase, the distribution of Ag+ and Cu+ ions differs.The distribution of cations and their pair distribution functions show concentration dependency as well.