[24a-12G-1~9] 6.3 Oxide electronics

11:15 AM - 11:30 AM JST(2:15 AM - 2:30 AM UTC)

[24a-12G-8] Solid-state NMR spectrum simulation of positive electrode materials for Li-ion Batteries using a combination of first-principles calculation and machine learning

〇Kazushige Hyodo¹, Takehide Morimoto¹, Haruki Kaneda¹ (1.Sumitomo Metal Mining)

Keywords:

Li-ion Battery,solid-state NMR,machine learning

Information of local atomic strucutres in the cathode materials is important to imporove the electrical properties of Li-ion Batteries. We have focused on the fact that solid-state NMR spectrum of Li in cathode materials reflect the neighboring atomic structure, and have been developing measurement and analytical techniques. In this presentation, we report on a simulation method of NMR spectrum of Li, which is useful for identification of the obtained peaks.