Engineering the Metal Sulfide Interface in All Solid State Batteries through Operando Study

迫切需要改进电动汽车的储能技术，并大规模整合可再生电网储能，以提高国内能源安全。目前，最先进的能量存储技术，如锂离子电池，不足以提供所需的性能要求，如成本和能量密度，以实现广泛的使用。使用高能量密度电极和固态电解质的电池化学可以为这些应用提供能量密度和耐久性增益的途径。该项目是固态电解质的基础研究，固态电解质是实现这些高能量密度电池化学物质的关键成分，沿着安全性和耐用性优势。硫化物复合材料由于其高的离子电导率和良好的机械强度特性，在全固态电池中作为固体电解质是有希望的。然而，硫化物固体电解质仍然面临限制其使用的挑战。该项目将导致对所有固态电池中金属硫化物的机制和材料相互作用的基本理解。该研究将指导材料设计的改进，改进电解质和电极，并最终导致高能量固态电池的改进设计。社会也将受益于高素质的研究人员的培训，他们将能够继续技术改进，创造大规模的能源解决方案，从科学，技术，工程和数学学科。本研究的具体目标是提高金属硫化物在固态电解质中的稳定性，以应用于所有固态锂电池。为了实现这一目标，金属硫化物离子传导和界面反应性的基本机制将通过在现实的、完全可操作的电池单元上进行的操作表征来询问。这将揭示在循环期间密封装置内的掩埋界面处发生的关键材料演变过程。这些发现将用于通过元素掺杂来修改金属硫化物化学，并通过界面工程来稳定界面。这将通过两个研究小组的共同努力来实现，一个研究小组具有合成和材料工程，界面稳定和细胞修饰方面的专业知识，另一个研究小组擅长电池的操作表征和建模。这项工作的方法？结合材料合成和评估，操作设备表征，和计算？该奖项反映了NSF的法定使命，并通过使用基金会的智力价值和更广泛的影响审查标准进行评估，被认为值得支持。

There is a critical need for improved energy storage technologies for electric vehicles and large-scale integration of renewable electricity grid storage to improve domestic energy security. Currently, state-of-the-art energy storage technologies such as lithium ion batteries are insufficient in providing the performance requirements needed such as cost and energy density to enable broad use. Battery chemistries using high energy density electrodes and solid-state electrolytes could provide an avenue towards gains in energy density and durability for these applications. This project is a fundamental research study of solid-state electrolytes, a key component that enables these high energy density battery chemistries along with safety and durability benefits. Sulfide composites are promising as solid electrolytes in all solid-state batteries due to their high ionic conductivity and favorable mechanical strength features. However, sulfide solid electrolytes still face challenges that limit their use. This project will result in fundamental understanding of the mechanisms and material interactions of metal sulfides in all solid-state batteries. The research will guide improvements to material design, improved electrolytes and electrodes, and eventually lead to improved designs for high energy, solid-state batteries. Society will also benefit from the training of highly qualified researchers who will be able to continue technology improvements in creating large-scale energy solutions from science, technology, engineering, and math disciplines.The specific objective of this research is to improve metal sulfide stability in solid-state electrolytes for the application of all solid-state lithium batteries. In pursuit of this objective, the fundamental mechanisms of metal sulfide ion conduction and interface reactivity will be interrogated by operando characterization carried out on realistic, fully operational battery cells. This will reveal the critical materials evolution processes occurring at buried interfaces within sealed devices during cycling. The findings will be used to modify the metal sulfide chemistry through elementary doping and to stabilize the interface through interface engineering. This will be accomplished by the convergent effort of two research groups, one with expertise in synthesis and materials engineering, interface stabilization, and cell modification, and one skilled in operando characterization and modeling of batteries. The methodology in this work ? combining materials synthesis and evaluation, operando device characterization, and computation ? will lead to an in-depth understanding of the thermodynamic, kinetic, electrochemical, chemomechanical, and structural stability of metal sulfide all solid-state batteries.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.