Disordered Rock-Salt Cathode Composition for Fast-Charging Stability

The patent applies preliminary action by performing computational screening and estimation of synthesizability, metal-ion diffusion, voltage discharge, charge capacity, and oxygen stability for multiple cathode material compositions before actual synthesis. This pre-screening approach identifies promising candidates (Li4+δMx1M′y1M′′z1O8 and Li2+δMx2M′y2M′′z2O4) in advance, reducing the need for extensive trial-and-error experimentation and significantly cutting development time while maintaining performance improvement goals

The patent applies parameter changes by systematically varying the stoichiometric parameters (δ, x1, y1, z1, x2, y2, z2) and elemental composition (M, M′, M′′ selected from 18 different elements) of the cathode material formulas Li4+δMx1M′y1M′′z1O8 and Li2+δMx2M′y2M′′z2O4. This computational exploration of parameter space identifies compositions that achieve high charge capacity while maintaining reduced volume change during electrochemical cycling, resolving the contradiction between capacity and stability

The patent applies this principle by replacing expensive long-lived strategic elements (like cobalt) with cheaper alternative elements (M, M′, M′′ selected from Al, Ga, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ge, Ag, In, Sn, Sb, Te, Hf, Ta, W, Re, Os, Ir, Pt, Au, and their combinations). The computational screening identifies compositions that achieve desirable voltage discharge and charge capacity using these more abundant, cost-effective elements, making the cathode materials easier and cheaper to manufacture