Unraveling the effects of inter-site Hubbard interactions in spinel Li-ion ca...

Accurate first-principles predictions of the structural, electronic, magnetic, and electrochemical properties of cathode materials can be key in the design of novel efficient...针对正极材料（cathode materials）的结构、电子、磁学及电化学性能开展精准的第一性原理（first-principles）预测，是设计新型高效……正极材料的关键所在