Abstract: Different ternary system Fe-based metallic glass catalysts were constructed to boost photocatalytic reactive black 5 dye degradation with persulfate assistance. Compared with FePC and FeBSi catalysts, Fe atoms in the FeBC catalyst exhibited a high energy level and a unique atomic coordination structure causing its efficient photocatalytic activity like a high k value, a strong total organic carbon removal rate, and a low activation energy value. Meanwhile, the green and environmental friendliness of the metallic glass catalyst/persulfate/ultraviolet system for dye degradation was determined. Density Functional Theory simulations confirmed that the FeBC catalyst had an excellent catalytic performance due to its unique atomic coordination environment, which induced the reduction in the energy barrier (only 1.36 eV) during the conversion of S₂O₈^2- to SO₄^-•. Moreover, the Relaxation and Rejuvenation catalysts were prepared by treating the as spun FeBC ribbon with high temperature annealing and cryogenic thermal cycling, showing a higher crystallinity and a higher energy state than the as spun counterpart, respectively; and both treated catalysts exhibited a higher catalytic degradation activity. Especially, the Rejuvenation catalyst offered a high catalytic degradation ability of k_SA·C₀ = 13114 mg m^-2 min^-1, a large k value of 0.981 min^-1, and a strong reusability of 44 cycles without decolorization efficiency decay. This study may inspire the design of high activity metallic glass catalysts and expand their potential applications in environmental remediation.

Key words: Metallic glass, Atom coordination, Energy state, Photocatalytic activity