All simulations were carried out using density functional theory as implemented in the GPAW software structure Hubbard correction Ud (Ti) = 4.5 eV was utilized. The U value was obtained through the self-consistent linear response DFT+U method (LR-DFT+U). Constant potential calculations were carried out using the constant inner potential DFT method. The studies of the dynamics of explicitly solvated electrochemical interfaces under constant potential conditions were performed using constant inner potential (CIP-DFT) molecular dynamics (MD). 6,64-66 A more detailed description of the computational methods is given in the Supporting information Section 1.