The in situ X-ray absorption spectroscopy characterization and DFT computation were carried out to get insight into the crystallization process of metal ions substituted AlPO4-5 (metal ions Me = Mnz+ , Fe3+ , Co2+ , Ni2+ ).

• 采用原位X-射线吸收光谱的方法,结合密度泛函的理论研究,考察了杂原子磷酸铝分子筛水热晶化过程中Mn2+、Fe3+、Co2+、Ni2+等杂原子由骨架外向骨架内迁移的变化规律。