MEMS SEMINAR:Design Better Batteries--Rational Materials Design Expedited by Computation and Advanced In Situ/Operando Characterizations

Many emerging new materials design tools and approaches are making rational design of materials more feasible and powerful than ever. Materials Genome, machine learning and AI-assisted designs, are significantly expediting the materials design process and bringing many hidden options to the table. Meanwhile, the development of state-of-the-art characterization techniques is allowing people to have more insightful look at the crystal structure and microstructure of materials, which leads to deeper understanding of the structure-property relationship of materials and more effective materials design guidelines.
Chen group at Georgia Tech works at the nexus of computation, material design, synthesis and advanced characterizations. We have developed a number of in situ characterization platforms for different synthesis methods (e.g., solid state, hydrothermal, molten salt and electrochemical syntheses) and a variety of operando characterizations for batteries and other electrochemical devices. With using lab or synchrotron X-ray sources, in situ/operando XRD, PDF, XAS can be performed to provide unprecedented information on the phase/structure evolution of materials in their syntheses and their functioning processes in devices. We also closely collaborate with computational material scientists to develop novel materials, leveraging the power of high-throughput first principles computations. Some of our recent research projects will be presented. (1) Understanding the nucleation and polymorph selectivity of metal and alloy nanoparticles in solution with using in situ XRD. (2) Design of phase-transition-free long-cycling cathode for high energy Na-ion batteries. (3) Design of high-performance solid electrolytes for all-solid-state Li-ion batteries. Other ongoing research topics such as recycling of spent batteries will also be briefly mentioned.

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