A new family of cation-disordered Zn(Cu)–Si–P compounds as high-performance anodes for next-generation Li-ion batteries

Cation-disordered Zn(Cu)–Si–P family materials demonstrate better Li-storage performance than the cation-ordered ZnSiP ₂ phase due largely to faster electronic and ionic conductivity and better tolerance to volume change during cycling, as confirmed by DFT calculations and experimental measurements.