The addition of filler particles to polymer electrolytes is known to increment their ionic conductivity (IC). A detailed understanding of how the interactions between the constituent materials are responsible for the enhancement, remains to be developed. A significant contribution is ascribed to an increment of the polymer amorphous fraction, induced by the fillers, resulting in the formation of higher ionic conductivity channels in the polymer matrix. However, the dependence of IC on the particle weight load and its composition on the polymer morphology is not fully understood. This work investigates Li ion transport in composite polymer electrolytes (CPE) comprising Bi-doped LLZO particles embedded in PEO: LiTFSI matrixes. We find that the IC optimizes for very low particle weight loads (5 to 10%) and that both its magnitude and the load required, strongly depend on the garnet particle composition. Based on structural characterization results and electrochemical impedance spectroscopy, a mechanism is proposed to explain these findings. It is suggested that the Li-molar content in the garnet particle controls its interactions with the polymer matrix, resulting at the optimum loads reported, in the formation of high ionic conductivity channels. We propose that filler particle chemical manipulation of the polymer morphology is a promising avenue for the further development of composite polymer electrolytes.
A Comparative Study of Molecular Dynamics Approaches for Simulating Ionic Conductivity in Solid Lithium Electrolytes
Université de Montréal（蒙特利尔大学）；Mila – Quebec AI Institute（米拉-魁北克人工智能研究所）；National Research Council Canada（加拿大国家研究委员会）；Institut Courtois, Université de Montréal（蒙特利尔大学库尔图瓦研究所）
Understanding correlation effects for ion conduction in polymer electrolytes
由于阳离子和阴离子之间存在相关效应，聚合物电解质通常表现出降低的离子电导率。在显微镜下，瞬时离子聚集体，例如{ \it离子对}、{ \it离子三联体}或更高阶离子簇，产生离子相关性。采用{ \it全原子}模拟的模型聚合物电解质包括聚（环氧乙烷）和碘化锂，离子的相关性进行了探讨，通过建设的基本功能之间的离子物种，定性地解释了这些相关性的时空性质。此外，从描述离子的集体扩散率的精确的类爱因斯坦方程开始，根据离子的平均扩散率（即自项）和来自不同离子对的相关性，引入几个唯象参数来跟踪简化过程，最终归结为最近由Stolwijk-Obeidi（SO）[N. A. Stolwijk和S. Obeidi，Phys. Rev. Lett. 93，125901，2004]。近似参数，这可以从模拟中检索，点的必要性，以充分描述的相关性的影响，除了仅仅是离子对的分数，这显然占的相关性起源于只有最近的邻居结构的相关性。这些参数接近但不完全是SO模型中假设的1。最后，作为扩展SO模型的应用，人们能够估计自由和非自由离子的动态以及它们的分数从单粒子扩散率和离子的集体扩散率的知识。
Potential jumps at transport bottlenecks cause instability of nominally ionic solid electrolytes in electrochemical cells
电化学装置如固体氧化物燃料电池（SOFC）、固体氧化物电解槽电池（SOEC）和锂离子电池（LIB）的正常操作有时会由于意外形成内相而失败。这些相包括SOEC的氧化锆电解质内的晶界处的氧气泡、全固态LIB的（石榴石型）Li 7 La 3 Zr 2 O 12电解质内的孤立的Li金属岛以及Na-S电池的Na-β-氧化铝和NASICON电解质内的类似Na金属岛。值得注意的是，虽然这些设备可以在两种极性下工作，但故障的倾向取决于极性。在这里，我们解释这些和其他现象在名义上的离子固体电解质和混合导电电极在简单的热力学和动力学方面：意想不到的内部相是由一个大的潜在的跳跃，需要推动一个恒定的离子或电子流通过其内部传输瓶颈。内相形成的明确规则，包括其极性依赖性制定，以帮助预测和减轻它，这将导致微观结构不稳定，效率恶化和击穿。
Unraveling impacts of polycrystalline microstructures on ionic conductivity of ceramic electrolytes by computational homogenization and machine learning
A molecular perspective on coordination, screening, and emergent length scales in lithium electrolytes
Univ. Grenoble Alpes（格勒诺布尔阿尔卑斯大学）；CEA（法国原子能和替代能源委员会）；IRIG-MEM-LSim；Univ. Savoie Mont Blanc（萨瓦蒙布朗大学）；CNRS（法国国家科学研究中心）；Grenoble INP（格勒诺布尔国立理工学院）；LEPMI；CEA, LITEN（CEA-LITEN）；Laboratory of Physical Chemistry, Department of Chemistry, University of Ioannina（约阿尼纳大学化学系物理化学实验室）
Strain-Dependent Ionic Transport in Li3YCl6 Solid Electrolytes
William A. Brookshire Department of Chemical and Biomolecular Engineering, University of Houston（休斯顿大学威廉·A·布鲁克夏尔化学与生物分子工程系）；Institute of Fundamental and Frontier Sciences, University of Electronic Science and Technology of China（电子科技大学前沿科学与工程学院）
Synergetic Enhancement on Bulk and Grain Boundary Ionic Conduction of Mg Doped High-Entropy NASICON-Type Solid Electrolyte for Solid-State Na+ Batteries by Spray Flame Synthesis
OBELiX: A Curated Dataset of Crystal Structures and Experimentally Measured Ionic Conductivities for Lithium Solid-State Electrolytes
Mila；McGill University（麦吉尔大学）；University of Ottawa（Ottawa大学）；Technical University of Kenya（肯尼亚技术大学）；National Research Council Canada（加拿大国家研究委员会）；Université de Montréal（蒙特利尔大学）
Synergistic Interface Stability and High Room-Temperature Ionic Conductivity for Wide-Temperature All-Solid-State Batteries Based on Li6+xSixSb1-xS5I Electrolytes
An Effective Strategy to Enable Argyrodite Sulfides as Superb Solid-State Electrolytes: Safeguarding Remarkable Ionic Conductivity and Interfacial Stability with Electrodes
Predicting Crystal Structures and Ionic Conductivities in Li$_{3}$YCl$_{6-x}$Br$_{x}$ Halide Solid Electrolytes Using a Fine-Tuned Machine Learning Interatomic Potential
Université de Bordeaux, CNRS, Bordeaux INP, ICMCB（波尔多大学，法国国家科学研究中心，波尔多国立高等电子、计算机、电信与无线电通信学院，材料化学与分子物理研究所）；Réseau sur le Stockage Electrochimique de l’Energie (RS2E), CNRS FR 3459（电化学储能网络（RS2E），法国国家科学研究中心）
Are Weakly Coordinating Anions Really the Holy Grail of Ternary Solid Polymer Electrolytes Plasticized by Ionic Liquids? Coordinating Anions to the Rescue of the Lithium Ion Mobility
Machine Learning Prediction Models for Solid Electrolytes based on Lattice Dynamics Properties
Kyungpook National University（庆北国立大学）；Sungkyunkwan University（成均馆大学）；Harvard University（哈佛大学）；Korea Research Institute of Chemical Technology（韩国化学技术研究院）
Optimizing Ti substitution for the enhanced densification, ionic conductivity, and microstructure of garnet-type Li$_7$La$_3$Zr$_2$O$_{12}$ solid electrolytes
Visvesvaraya National Institute of Technology（维斯瓦萨瓦尔亚国家理工学院）
Effect of lithium bis(oxalato)borate on the Structural, microstructural and electrochemical properties of blend solid polymer electrolyte
采用溶液浇铸法制备了以PEO、PVP为主体的锂离子复合聚合物电解质LiBOB，考察了LiBOB对聚合物电解质的形貌、结构和电化学性能的影响。XRD和FESEM分析表明，盐的加入提高了非晶含量。FTIR光谱证明了络合物的形成。优化体系的离子电导率比无盐体系高两个数量级，即~0.5x10-5 S cm-1（@RT），当O/Li=16时，提高到~0.65 mS cm-1（@100 oC），电导率随温度的变化符合Arrhenius性质。高的离子（~0.99）证明了络合电解质的离子性质。DSC分析表明，结晶度的抑制和玻璃熔融温度向低温移动意味着非晶含量的增加。最后，提出了一个相互作用机制，探索离子传输机制。本电解质体系可作为固态电池的潜在候选者
