Exploration of material genes and structural chemistry in Li-ion batteries
Feng Pan*
School of Advanced materials, Peking University Shenzhen graduate school, Xili University town, Shenzhen, 518055
*Email: panfeng@pkusz.edu.cn
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 fields 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 scientific 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.
Reference:
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，Nature Nanotech 2021, 16 (5), 599-605; Ni/Li disordering in layered transition metal oxide: electrochemical impact, origin and control, Acc. Chem. Res. (2019), 52, 2201; In situ quantification of interphasial chemistry in Li-ion battery, Nature Nanotech., (2019) 14 (1) 50–56