Phase engineering of mesoporous Al–Cu–Fe–B quasicrystalline and crystalline catalysts for efficient H2 production from methanol steam reforming

This study reports the mechanosynthesis of Al₆₄Cu₁₉Fe₁₄B₂ three-dimensional face-centred icosahedral quasicrystal (3D–FCIQC) and crystalline complex metallic alloys (CMAs). The catalytic performance of single-crystal Al₆₄Cu₁₉Fe₁₄B₂ 3D–FCIQC mesoporous catalysts for hydrogen production through steam reforming of methanol (SRM) was investigated, with particular emphasis on the effect of incorporating crystalline ω–Al₇Cu₂Fe and β–Al(Cu,Fe) phases alongside the 3D–FCIQC structure. Mesoporous catalysts were prepared by alkali leaching in a 5 wt% Na₂CO₃ solution at different temperatures. The results demonstrate that the combination of mechanosynthesis and controlled leaching temperature significantly influences phase composition, porosity, and catalytic behaviour. Catalysts leached at 50 ° C and containing both 3D–FCIQC and ω–Al₇Cu₂Fe phases exhibited a high specific surface area of ∼197 m²·g⁻¹ and achieved a maximum H₂ production rate of ∼2740 ml·min⁻¹ ·g⁻¹ and ∼99% methanol conversion at 300 ° C. In contrast, single-phase 3D–FCIQC catalysts revealed lower but still considerable H₂ production rates. The findings highlight the role of phase composition and microstructural evolution in enhancing catalytic performance. Improved catalytic activity was observed compared with previously reported Al-based quasicrystal catalysts for SRM, indicating the potential of Al₆₄Cu₁₉Fe₁₄B₂ materials for efficient hydrogen production.