EXTENDED ABSTRACT: Methodologies of structural chemistry has been studied to explore the material gene and structure-function relationship in Li-ion batteries. Through developing chemical methods based on graph theory as well as establishing a material big data system, we aim to investigate the fundamental question of "what are material genes?" and "how to conduct research on material genes in lithium-ion batteries?". In this report, several cutting-edge interdisciplinary ffelds are introduced, including structural chemistry based on graph theory, big data of materials, lithium-ion battery material genes, super-exchange interaction of d-orbital spinning electrons in transitional metals, structure characterizations via large scientiffc facilities such as synchrotron and neutron radiation, etc. The above investigations attempt to inspire new paradigms for material research, thus advancing and development of critical materials in lithium-ion batteries. REFERENCES: F. Pan* et al Origin of structural degradation in Li-rich layered oxide cathode, Nature 2022, 606 (7913), 305-312 ; In situ Raman spectroscopy reveals the structure and dissociation of interfacial water, Nature 2021 600 (7887), 81-85; Understanding Co roles towards developing Co-free Ni-rich cathodes for rechargeable batteries, Nature Energy 2021, 6 (3), 277-286, Structural origin for the high voltage instability of lithium cobalt oxide,
Feng Pan, chair professor of Peking University, national special expert,. He has long been committed to the development of structural chemistry methodology and its application in the research and development of new materials, created the structural chemistry theory based on graph theory, established the in-situ dynamic structure characterization system based on large scientific devices such as neutron and synchrotron radiation, and explored and revealed the material genes and structure-function relationship. Breakthroughs have been made in solving scientiffc problems such as lithium battery energy storage density, power density and stability. He has published more than 360 SCI articles in well-known journals such as Nature (2), Nature Energy (1) and Nature Nanotechnology (3) as the corresponding author. He has been awarded with the China Electrochemical Contribution Award, the first Prize of Shenzhen Natural Science, and the Battery Technology Award of the American Electrochemical Society.