Multiscale Modeling of Electrolytes in Porous Electrode: from Equilibrium Structure to Non-Equilibrium Transport
Multiscale Modeling of Electrolytes in Porous Electrode: from Equilibrium Structure to Non-Equilibrium Transport
复制标题
多孔电极中电解质的多尺度建模：从平衡结构到非平衡输运
DOI：
10.1016/j.gee.2020.06.020
复制
发表时间：
2020-07
影响因子：
13.3
通讯作者：
Honglai Liu
中科院分区：
文献类型：
--
作者：
Haolan Tao;Cheng Lian;Honglai Liu
了解电解质、多孔电极以及电极与电解质界面处各种传输过程的机理和性质，对电解质、电极材料和电极微观结构的改进具有重要的指导作用。纳米尺度的平衡性质和非平衡离子输运与体相有很大的不同，很难直接从实验中观察到。本文介绍了多孔电极或电解质-电极界面中电解质的平衡态和非平衡态热力学。讨论了双电层的平衡性质，包括双电层的结构和电容。此外，还介绍了经典的非平衡态热力学理论，以帮助我们理解不同输运过程的耦合效应。综述了近年来用分子方法和连续介质方法研究多孔电极中离子非平衡输运的研究进展，其中动态密度泛函理论（DDFT）以其高效率和高精度显示出巨大的潜力。展望了非平衡态热力学在电化学体系中的发展和应用前景。
Understanding the mechanisms and properties of various transport processes in the electrolyte, porous electrode, and at the interface between electrode and electrolyte plays a crucial role in guiding the improvement of electrolytes, materials and microstructures of electrode. Nanoscale equilibrium properties and nonequilibrium ion transport are substantially different to that in the bulk, which are difficult to observe from experiments directly. In this paper, we introduce equilibrium and no-equilibrium thermodynamics for electrolyte in porous electrodes or electrolyte–electrode interface. The equilibrium properties of electrical double layer (EDL) including the EDL structure and capacitance are discussed. In addition, classical non-equilibrium thermodynamic theory is introduced to help us understand the coupling effect of different transport processes. We also review the recent studies of nonequilibrium ion transport in porous electrode by molecular and continuum methods, among these methods, dynamic density functional theory (DDFT) shows tremendous potential as its high efficiency and high accuracy. Moreover, some opportunities for future development and application of the non-equilibrium thermodynamics in electrochemical system are prospected.
登录
查看更多内容
离子结构转变增强亚纳米孔中的充电动力学
影响因子：
17.1
作者：
Tangming Mo;Sheng Bi;Yuan Zhang;Volker Presser;Xuehang Wang;Yury Gogotsi;Guang Feng
通讯作者：
Guang Feng
用晶格密度泛函理论研究基材对聚合物刷相行为的影响
影响因子：
1.4
作者：
Lv, Wenjie;Han, Xia;Wang, Hualin;Liu, Honglai
通讯作者：
Liu, Honglai
影响因子：
3.7
作者：
K. Kiyohara;K. Asaka
通讯作者：
K. Kiyohara;K. Asaka
影响因子：
3.7
作者：
S. Varanasi;Amir H. Farmahini;S. Bhatia
通讯作者：
S. Varanasi;Amir H. Farmahini;S. Bhatia
锚定Co3O4纳米粒子的石墨烯作为锂离子电池负极增强可逆容量和循环性能
影响因子：
17.1
作者：
Wu, Zhong-Shuai;Ren, Wencai;Cheng, Hui-Ming
通讯作者：
Cheng, Hui-Ming