Lithium and copper transport properties in phosphate glasses: A Molecular Dynamics study

Recently glasses have been considered as potential candidates for solid-state batteries applications due to the peculiar properties that they show if compared to crystalline ones. In this work, the dynamic properties of copper (Cu1+) and lithium (Li1+) ions in phosphate glasses, in which Cu2O was progressively substituted to Li2O, were investigated and correlated with the glass structure analysis by using Molecular Dynamic (MD) simulations.