Communication—Design of LiNi _0.2 Mn _0.2 Co _0.2 Fe _0.2 Ti _0.2 O ₂ as a High-Entropy Cathode for Lithium-Ion Batteries Guided by Machine Learning

The use of “high-entropy” materials in electrodes is an emerging strategy to improve the stability and electrochemical properties of lithium-ion batteries. This study reports the machine learning-driven discovery of a high-entropy LiNi _0.2 Mn _0.2 Co _0.2 Fe _0.2 Ti _0.2 O ₂ layered oxide cathode. Battery testing reveals a good initial capacity (160 mAh g ⁻¹ ) with exceptional stability up to 4.4 V. These materials are a promising way to expand the design space of cathode candidates while using inexpensive transition metals. However, further optimization of these materials is needed to improve battery performance relative to traditional cathodes.