where E A is the predicted activation energy of Ti release, Φ is the work function (eV) and ω stands for the vibrational frequency of Ti along the c direction (THz). Our results suggest that decreasing the work function of Ti 3 C 2 T x surface and avoiding Ti sites that are loosely anchored to the subsurface (as characterized by soft phonon modes) can improve the surface stability. These surface properties can be rapidly calculated for MXene of any selected composition and therefore, can be used for computational screening and the selection of surface chemistries impeding degradation reactions. can be further used to investigate other possible culprits of degradation reaction, including the role of defects and edges, and would shed light on the instability of MXenes beyond Ti 3 C 2 T x.