Abstract
This study developed an XRD-based framework for quantitatively evaluating diffuse structural modulation in CD-R waste electrocatalysts and its relationship with hydrogen evolution behavior. Diffuse X-ray scattering measurements were performed on damaged and undamaged CD-R samples with no-data, half-loaded, and fully loaded conditions. The results show digital data loading significantly influenced the diffuse structural behavior of the amorphous CD-derived matrix, where the half-loaded CDs consistently produced the strongest modulation response. A Digital Structural Modulation Index (DSMI) was proposed to quantify diffuse structural modulation using integrated diffuse scattering area and peak broadening behavior. A Digital Catalytic Efficiency (DCE) descriptor was further introduced to relate structural modulation with hydrogen evolution performance. The damaged half-loaded CD shows highest DSMI and DCE values among all investigated samples. Correlation analysis demonstrated positive relationships between hydrogen evolution rate and both DSMI and DCE. Overall, diffuse structural modulation strongly influences hydrogen evolution behavior in CD-derived electrocatalytic systems.