Thiol-functionalized Zr metal-organic frameworks for efficient removal of Fe3+ from water

Fe3+ is essential for human physiological function. However, excess amounts of are dangerous. Metal-organic frameworks (MOFs) with high porosity, stability, and facile tunability promising adsorption environmental applications. In this study, we show that thiol-functionalized Zr-MOFs can remove the highest capacity (481 mg g−1) fastest kinetics (1.07 g mg−1 h−1) reported so far, to best our knowledge. The MOFs, containing a density sulfur, highly selective Fe3+, rapidly purifying water drinkable level. Density functional theory projected states calculations confirm has largest energy on MOFs compared other competitive metals tested. addition, find unpaired d electrons in contribute adsorption. Therefore, post-functionalized capacity, kinetics, selectivity, recyclability adsorbents purification contaminated heavy metal ions.