Improving Li${}_2$O${}_2$ conductance via polaron preemption: an \textit{ab initio} study of Si doping

Vladimir Timoshevskii, Zimin Feng, Kirk Bevan +1

We report on \textit{ab initio} electronic structure simulations of Li${}_2$O${}_2$, where 1.6% of lithium atoms are substituted by silicon. It is demonstrated that this leads to the f…