Co‐Doping Strategies to Improve the Electrochemical Properties of LixMn2O4 Cathodes for Li‐Ion Batteries

Abstract Four novel cathode electrode materials with improved material properties have been derived from the Lithium Manganese Oxide spinel using co‐doping strategies. Specifically, Aluminum, Nickel, Magnesium, and Yttrium were selected as the primary dopant to replace a fraction of Mn 3+ (5 %), and S 2− was selected as the secondary dopant to replace 1 % of O 2− . A combination of quantum mechanics and molecular dynamics was used to study the …