Electrode Materials

[2-16A] First-principles calculations of spinel-type 0.3MgCo1.5Mn0.5O4-0.7Mg1.33V1.57Ni0.1O4 to clarify the Mg insertion mechanism and electronic structure after charge-discharge

*Yusuke Ogita¹, Chiaki Ishibashi¹, Naoto Kitamura¹, Yasushi Idemoto¹ (1. Tokyo University Of Science ) (※This presenter is a candidate for the Student Award for Outstanding Presentation.)

Keywords:First-principles calculations, Density Functional Theory, Mg rechargeable battery, Discharge process, Charging process