This study synthesized Zn-Cu-S alloy powder using mechanical alloying to eliminate EBT dye pollution. Multiple
techniques were used to characterize the alloyed materials. The formation of intermetallic phase, Cu5Zn8, was
realized, after 35 h milling process. After light irradiation, both the adsorption and photocatalytic activity of the
alloyed material were observed. The EBT removal process was optimized by varying pH, lamp power, and alloy
dosage (g/L) parameters. Response surface plots were employed to investigate the removal percentage of dye.
Isotherm and kinetic models were utilized to investigate EBT uptake. The maximum adsorption capacity (qmL) of
222.8 mg/g was significantly higher than previously reported values. The maximum removal rate was determined
to be approximately 87%. DFT calculations estimated the optimized geometry of the ground state of a
semiconductor alloy by frontier molecular orbitals and explained the origin of the alloy photocatalyst’s electronic
transitions.