电荷(物理)
物理
化学物理
固态
密度泛函理论
离子
电荷密度
国家(计算机科学)
空格(标点符号)
电子结构
作者
Michael W. Swift,Yue Qi
标识
DOI:10.1103/physrevlett.122.167701
摘要
As all-solid-state batteries (SSBs) develop as an alternative to traditional cells, a thorough theoretical understanding of driving forces behind battery operation is needed. We present a fully first-principles-informed model of potential profiles in SSBs and apply the model to the Li/LiPON/$\text{Li}_x\text{CoO}_2$ system. The model predicts interfacial potential drops driven by both electron transfer and Li$^+$ space-charge layers that vary with the SSB's state of charge. The results suggest lower electronic ionization potential in the solid electrolyte favors Li$^+$ transport, leading to higher discharge power.
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