Presentation Information

10:00 AM - 10:15 AM JST(1:00 AM - 1:15 AM UTC)

[25a-12C-5]Stable structure and electronic state of Mg_1+xV_2-x-yMyO₄, a positive electrode material for Mg secondary batteries, using first-principles calculations.

〇Ryushi Imi¹, Chiaki Ishibashi¹, Kitamura Naoto¹, Yasushi Idemoto¹ (1.Tokyo Univ. of Sci)

Keywords:

Mg secondary batteries,Ab initio calculations,Charging and discharging process

For the Mg secondary battery cathode material Mg1+xV2-x-yMnyO4, which had very good charge-discharge capacity and cycle characteristics, we used first-principles calculations to model structures with different amounts of Mg and Mn and determine their stable structures. We also investigate the effect of the difference in Mg and Mn content on the electronic structure. Through these studies, we will elucidate the mechanism of Mg1+xV2-x-yMnyO4, a Mg secondary battery cathode material with high battery characteristics.

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Presentation Information

[25a-12C-5]Stable structure and electronic state of Mg1+xV2-x-yMyO4, a positive electrode material for Mg secondary batteries, using first-principles calculations.

Keywords:

[25a-12C-5]Stable structure and electronic state of Mg_1+xV_2-x-yMyO₄, a positive electrode material for Mg secondary batteries, using first-principles calculations.