[G] 相安定性・相変態

13:45 〜 14:00

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

*何 瑀璇¹、野井 浩祐²、三木 秀教³、飯久保 智¹ (1. 九州大学、2. 京都大学、3. トヨタ自動車株式会社)

キーワード：

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.