We further explored correlations between E A and global properties of Ti 3 C 2 T x surfaces, such as an average distance between Ti and water molecules and work function. We initially hypothesized that a short distance between outer Ti atoms and the first water layer (i.e., "wettability" of Ti 3 C 2 T x surface) could promote a water attack reaction. We calculated the first peak position d Ti-H2O of the radial distribution function (RDF) between water molecules and the outer Ti layer (Figure ), which indicates the average distance between Ti and O atoms belonging to the first layer of water. However, our simulations revealed a relatively weak correlation between d Ti-H2O and E A (Figure ), suggesting that the proximity of water to Ti is not a determining factor of reaction rate. On the other hand, AIMD simulations revealed a strong negative correlation (R 2 = 0.822) between E A and work function of Ti 3 C 2 T x surfaces (Figure ). This property describes the position of the Fermi level in relation to a vacuum level and is associated with the electrostatic potential of the surfaces. Several previous studies correlated work functions to the catalytic activity of metallic surfaces. However, the effect of work function on surface stability has not been explored. In this work, we discovered that the stability of Ti 3 C 2 T x surfaces is linked to their work function: Ti 3 C 2 T x surfaces with lower work functions generally demonstrate higher stability (Figure ). As discussed earlier, we also observed that the subsequent oxidation and release of Ti atoms raised the E A for future reactions, hindering the degradation. We now attribute this behavior to the alteration in work function (6.26 eV vs 6.07 eV after the release of Ti) due to the formation of a Ti-OH dipole on the surface of Ti 3 C 2 O 2 .