活化能
阿累尼乌斯方程
反应速率
电解质
热力学
动能
易燃液体
化学
反应性(心理学)
反应级数
化学物理
材料科学
化学工程
物理化学
反应速率常数
动力学
电极
催化作用
有机化学
物理
工程类
医学
病理
量子力学
替代医学
作者
Dongxing Song,Weigang Ma,Xing Zhang
标识
DOI:10.1016/j.jpowsour.2021.230211
摘要
While all-solid-state Li-ion batteries (ASSLIBs) by using non-flammable and superionic solid electrolytes (SEs) exhibit improved safety and higher energy density, a major challenge that remains to be overcome is the dissatisfactory rate performance and capacity retention due to the undesirable reaction at electrode/SE interfaces. Reaction energy is generally taken as the indicator of interfacial reactivity, i.e. reaction degree and reaction rate, although it only represents whether the reaction is thermodynamically favorable. In the physical origin, activation energy (reaction barrier) instead of reaction energy should be the determinant of reaction rate. Here, first principles calculations with the Arrhenius relationship show a difference of several orders of magnitude in reaction rates due to the distinct activation energies although the reaction energies are similar. Then, by combining the activation energy with the reaction energy and conductive ability of products, which representing kinetic feasibility, thermodynamic favorability, and continuity of a reaction respectively, we propose an evaluation strategy for interfacial stability and correspondingly classify the interfaces. This study manifests that the usually unheeded activation energy can provide a kinematic perspective for the interfacial reactions.
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