New Functional Materials Development Division

2:25 PM - 2:40 PM JST(5:25 AM - 5:40 AM UTC)Student Award for Outstanding Presentation Candidate

[3-46A] First-Principles Investigation of the Stable Local Structure and electronic states during the Charge–Discharge Process of the LIB Cathode Material 0.5Li₂MnO₃-0.5Li(Mn_10/24-xM_xNi_7/24Co_7/24)O₂ 《 Computational Science 》

*JINGRAN LIU¹, CHIAKI ISHIBASHI¹, REI NAKAYAMA¹, NAOTO KITAMURA¹, YASUSHI IDEMOTO¹ (1. Tokyo University of Science)

Keywords:

first-principles calculations based on density functional theory,Lithium-ion battery,cathode material,local structure