High-entropy alloys, metallic glasses, entropy effect, density functional theory, chemical properties, Materials of engineering and construction. Mechanics of materials, TA401-492

High-entropy metallic glasses (HEMGs), characterized by both compositional and structural disorders, serve as exemplary systems for exploring entropy effects. This study shows that a Fe25Co25Mn25Si10B15 HEMG significantly outperforms conventional Fe-based MGs and reduced iron in degrading azo dyes in a neutral environment. Through experiments and density functional theory calculations, it is identified that three entropy-related factors boost the reactivity: the high-entropy structure leading to an uneven charge distribution, the well-dispersed Fe atoms initiating the reaction, and the disordered structure activating otherwise inactive Co atoms. These factors collectively enhance the reactivity, highlighting how entropy can influence chemical properties of alloys.