The layer-decomposed density of states (DOS) in 3 further reveals the electronic properties associated with the surface reconstruction. The mid-gap states, which are spin-polarized and localized primarily in the up-spin channel, are indicative of the Ti 3+ polarons formed at the surface. These states, located just below the Fermi level, are primarily derived from Ti 3d orbitals, and their localization in the surface layer reflects the spatial distribution of the polarons. The strong spin anisotropy, with significant up-spin states and almost no corresponding down-spin states, suggests a spin-dependent nature of the polaron formation in this system. This behavior is consistent with earlier observations in reduced TiO2 surfaces, where polarons influence the electronic and structural properties of surface reconstructions . The mid-gap states gradually diminish in intensity in the subsurface layers, indicating a concentration of polarons at the surface and a gradual delocalization into deeper layers, which helps minimize the system's energy and maintain stability by reducing electrostatic repulsion, allowing the lattice to relax, and distributing strain more evenly across the surface and subsurface regions .