In this research, a solvothermal approach is introduced to synthesize a metal-organic frameworks (MOFs) nanocomposite (GO/UiO-66-NDC) for the removal of Cr(VI) from water. A comprehensive analysis was performed to understand the physical, chemical, and structural properties of the MOF nanocomposite. The adsorption behavior of Cr(VI) was investigated by changing various parameters, such as pH, dosage, and concentration, to determine isotherms, thermodynamics, and kinetics. The results showed that the nanocomposite had a high tolerance to pH and thermal stability, with a high adsorption capacity of 157.23 mg g⁻¹ for Cr(VI) at pH 3 due to the presence of zirconium oxide clusters. The density functional theory simulations showed that the nanocomposite had ten times more dynamic delocalized surface states, which enhanced the adsorption capacity and agreed with the experimental results. Furthermore, the nanocomposite exhibited better regeneration performance compared to previously reported materials, making it a promising super-adsorbent for removing Cr(VI) from water.

在这项研究中，采用溶剂热法合成金属有机框架（MOF）纳米复合材料（GO/UiO-66-NDC），用于去除水中的 Cr(VI)。进行了全面的分析，以了解 MOF 纳米复合材料的物理、化学和结构特性。通过改变各种参数（例如 pH、剂量和浓度）来研究 Cr(VI) 的吸附行为，以确定等温线、热力学和动力学。结果表明，纳米复合材料具有较高的pH耐受性和热稳定性，由于氧化锆簇的存在，在pH 3时对Cr(VI)的吸附容量高达157.23 mg g ^{-1 。}密度泛函理论模拟表明，纳米复合材料具有十倍的动态离域表面态，这增强了吸附能力，与实验结果一致。此外，与之前报道的材料相比，纳米复合材料表现出更好的再生性能，使其成为一种有前景的去除水中 Cr(VI) 的超级吸附剂。