[G] Phase Stability and Phase Transformations

1:45 PM - 2:00 PM JST(4:45 AM - 5:00 AM UTC)

[439] Investigation of negative electrode of fluoride-ion batteries in Ba-Ca-Mg-F Quaternary System

*YU-XUAN HO¹, Kousuke Noi², Hidenori Miki³, Satoshi Iikubo¹ (1. Kyushu University, 2. Kyoto University, 3. Toyota Motor Corp.)

Keywords:

状態図,第一原理計算,フォノン計算,フッ化物イオン電池

Thermodynamic stability of Ba-Mg-F and (Ba,Ca)F₂ in Ba-Ca-Mg-F system was evaluated by first-principles, cluster expansion, and CALPHAD to identify stable fluorides for potential anode applications.