冯世壕博士论文“Synergy of non-lithium cation doping and the lithium concentration affecting lithium ion transport in solid electrolytes”被Journal of Materials Chemistry A 接收发表
发布时间：2022-02-04
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The doping of non-lithium cations has a very significant effect on the electrochemical performance of inorganic solid electrolytes. In this work, the effect of non-lithium cations on the ionic conductivity of LISICON-type solid electrolytes at different lithium-ion concentrations is investigated based on first principles calculations. The results show that the doping of non-lithium cations has different effects on Li+ diffusion at different lithium-ion concentrations. This might be due to the fact that the doping of non-lithium cations at different lithium-ion concentrations results in different changes in the energy landscape of lithium ions. Therefore, we propose that large non-lithium cation doping can increase lithium-ion conductivity at low lithium-ion concentrations while the doping of non-lithium cations with a small radius can improve the lithium-ion conductivity at high lithium-ion concentrations. Besides, all these solid electrolytes are proved to be poor electronic conductors with a wide bandgap. Finally, from the thermodynamic point of view, these solid electrolytes show good thermal stability and match well with LiNiO2. These superior properties indicate that these materials are very promising solid electrolytes for lithium-ion batteries.