Figure S1-S11,Table S1-S4

See the supplementary material for the experimental section, which includes: XRD FWHM, crystalline domain size, and refinement details; morphological and electrical characterizations such as SEM, AFM, c-AFM, and KPFM images; parameters obtained from first-principles calculations for the CZTSSe system, including electron and hole effective masses (m*), elastic constants (C3D), deformation potential constants (El), carrier mobility (μ), and lifetime; the corresponding calculation methods are also included; as well as all configurations and their corresponding energies from theoretical calculations.