Liwen Wan | 19-FS-056
All-solid-state batteries offer great promise for safer and higher-energy-density storage compared to conventional liquid-based, lithium-ion batteries. However, practical use of solid-state batteries is hindered by high resistance caused by the heterogeneity of structure and chemistry at the solid-state interfaces. To overcome these challenges, atomic-scale visualization of the interfaces and a detailed understanding of the correlation between interfacial structure, chemistry, and processing conditions is critical. Our research combined synthesis and scanning transmission electron microscopy (STEM) with spatially resolved electron energy loss spectroscopy (EELS) and first-principles simulations to determine the dominant structure and chemistry of battery chemistry interfaces under different sintering conditions. Our work demonstrated the advantages of using a tightly coupled experiment-theory approach to accurately probe interfacial structure and chemistry, one of the main scientific challenges faced by the solid-state battery community. This project also expanded our capability to model and characterize complex interfaces relevant in other energy related applications, such as corrosion and hydrogen storage.
This project supports Lawrence Livermore National Laboratory's energy and resource security mission focus area and builds on the Laboratory's core competencies in high-performance computing, simulation, and data science, as well as advanced materials and manufacturing. The project provides a new capability to augment existing capabilities in the areas of solid-state batteries, corrosion, and solid-state hydrogen storage. Completion of this project also allows Livermore to expand its current work focused on fuel cell technology. Both of these research areas are important to DOE missions.
Publications, Presentations, and Patents
Dive, A. and L. Wan. 2019. "Atomistic Modeling of Interfaces in All-Solid-State Lithium Ion Batteries." Lawrence Livermore National Laboratory Summer Student Poster Symposium, Livermore, CA. LLNL-POST-782922
Wan, L., et al. 2019a. "Atomistic Modeling of Interfaces in Solid-State Batteries." LLNL-KIST Workshop, Livermore, CA, September 2019. LLNL-PRES-790820
———2019b. "Integrated Experiment–Theory Approach Towards Understanding Complex Interfacial Chemistry in Solid-State Batteries." 236th Electrochemical Society (ECS) Meeting, Atlanta, GA, October 2019. LLNL-PRES-793667