[E1-PR17] Slot 17

[E1-PR17-02] Constant-Voltage Self-Consistent-Charge Density Functional Tight Binding Method for Electrochemical Cell Simulations

*Hiroshi Nakano^1,2, Hirofumi Sato^1,2,3 (1. Kyoto Univ. (Japan), 2. Elements Strategy Initiative for Catalysts and Batteries, Kyoto Univ. (Japan), 3. Fukui Inst. for Fundamental Chemistry, Kyoto Univ. (Japan))

Keywords:Electrode-electrolyte interface, Theoretical calculation, Simulation, Voltage effect