Presentation Information

9:30 AM - 9:45 AM JST(12:30 AM - 12:45 AM UTC)

[25a-12C-3]Investigation of the insertion and desorption mechanism of Mg and elucidation of the electronic state using ab initio calculations of spinel type 0.3MgCo_1.5Mn_0.5O₄-0.7Mg_1.33V_1.57Ni_0.1O₄ during the 2ndf charge and discharge process

〇Yusuke Ogita¹, Ishibashi Chiaki¹, Naoto Kitamura¹, Yasushi Idemoto¹ (1.Tokyo Univ. of Sci)

Keywords:

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

It has been reported that spinel oxide 0.3MgCo1.5Mn0.5O4-0.7 Mg1.33V1.57Ni0.1O4 showed good capacity maintenance rate in addition to high capacity as a magnesium secondary battery cathode material, but the detailed magnesium diffusion mechanism during charging and discharging has not been clarified. Therefore, in this study, we mainly calculate the structural changes and the generated energy in the middle of the 2nd charge-discharge process and clarify the differences in the generation energy and structural changes from the time of one-cycle charge-discharge.

Back to Session information

Presentation Information

[25a-12C-3]Investigation of the insertion and desorption mechanism of Mg and elucidation of the electronic state using ab initio calculations of spinel type 0.3MgCo1.5Mn0.5O4-0.7Mg1.33V1.57Ni0.1O4 during the 2ndf charge and discharge process

Keywords:

[25a-12C-3]Investigation of the insertion and desorption mechanism of Mg and elucidation of the electronic state using ab initio calculations of spinel type 0.3MgCo_1.5Mn_0.5O₄-0.7Mg_1.33V_1.57Ni_0.1O₄ during the 2ndf charge and discharge process