Functional MoC Thin-Film Counter Electrodes for Dye-Sensitized Solar Cells: Correlating Structural Evolution with Electrical Transport and Photovoltaic Performance

Molybdenum carbide (MoC) thin films were deposited by dual-target magnetron co-sputtering and investigated as platinum-free counter electrodes (CEs) for dye-sensitized solar cells (DSSCs). The effects of Mo target power and film thickness on structural evolution, electrical transport properties, and photovoltaic performance were systematically examined. Raman analysis revealed progressive modifications in the carbon bonding structure, accompanied by variations in the G-band position and an overall reduction in the ID/IG ratio. These structural changes were correlated with increased hardness, reduced electrical resistivity, and decreased surface wettability, indicating improved structural integrity and electrical transport characteristics of the MoC films. The optimized films exhibited a resistivity as low as 2.04 mΩ·cm and improved charge-transport behavior. DSSCs employing the optimized MoC CEs achieved a maximum power conversion efficiency of 4.13%. The photovoltaic performance trends were consistent with the evolution of the electrical transport properties of the MoC thin films, suggesting a close relationship between electrode structure, charge transport, and device operation. The results demonstrate that sputtered MoC thin films are promising functional materials for Pt-free DSSC CEs and provide insight into structure–transport–performance correlations relevant to sustainable photovoltaic energy-conversion systems.