This study presents a solvothermal approach to synthesize a metal-organic frameworks (MOFs) nanocomposite (GO/UiO-66-NDC) for the removal of Cr(VI) from water. The nanocomposite was characterized to understand its physical, chemical, and structural properties. Adsorption behavior of Cr(VI) was investigated under varying parameters such as pH, dosage, and concentration to determine isotherms, thermodynamics, and kinetics. The results showed that the nanocomposite had 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. Density functional theory simulations showed that the nanocomposite had ten times more dynamic delocalized surface states, enhancing the adsorption capacity and agreeing with experimental results. The nanocomposite exhibited better regeneration performance compared to previously reported materials, making it a promising super-adsorbent for removing Cr(VI) from water. Chromium (Cr) is a prevalent heavy metal in groundwater and surface water, often derived from industrial processes. The acceptable limit of hexavalent chromium in water for human consumption is 50 µg L⁻¹, but industrial wastewater can contain much higher concentrations. Several methods have been proposed for removing chromium, including chemical precipitation, electrochemical processing, ion exchange, membrane filtration, and adsorption. Adsorption is a practical and cost-effective strategy for eliminating chromium ions from wastewater. Metal-organic frameworks (MOFs) are porous inorganic-organic hybrids with excellent structural homogeneity and flexibility, making them promising materials for adsorption. UiO-66 is a 3D porous material with large and uniform pores, excellent hydrothermal and chemical stability, and a high surface area. However, UiO-66 has low adsorption capacity and selectivity, limiting its utility. Modification of UiO-66 with specific functional groups can enhance its capacity and selectivity. Graphene oxide (GO) and its composites have been extensively investigated as robust adsorbent materials. The intercalation of GO with UiO-66-NDC enhances its adsorption performance, creating a synergistic effect. Previous studies have demonstrated the efficacy of UiO-66-NDC in adsorbing various heavy metals, such as Cr(VI), due to its well-defined pores and strong metal-ligand interactions. Introducing GO into the composite provides additional active sites and improves the overall stability and conductivity, enhancing the adsorption capacity. This composite material exhibits improved adsorption kinetics and thermodynamics, making it a promising candidate for the efficient removal of Cr(VI) from water systems. The study aims to assess the effectiveness of GO/UiO-66-NDC nanocomposite, synthesized by combining the advantages of UiO-66-NDC and graphene oxide nanocomposite,This study presents a solvothermal approach to synthesize a metal-organic frameworks (MOFs) nanocomposite (GO/UiO-66-NDC) for the removal of Cr(VI) from water. The nanocomposite was characterized to understand its physical, chemical, and structural properties. Adsorption behavior of Cr(VI) was investigated under varying parameters such as pH, dosage, and concentration to determine isotherms, thermodynamics, and kinetics. The results showed that the nanocomposite had 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. Density functional theory simulations showed that the nanocomposite had ten times more dynamic delocalized surface states, enhancing the adsorption capacity and agreeing with experimental results. The nanocomposite exhibited better regeneration performance compared to previously reported materials, making it a promising super-adsorbent for removing Cr(VI) from water. Chromium (Cr) is a prevalent heavy metal in groundwater and surface water, often derived from industrial processes. The acceptable limit of hexavalent chromium in water for human consumption is 50 µg L⁻¹, but industrial wastewater can contain much higher concentrations. Several methods have been proposed for removing chromium, including chemical precipitation, electrochemical processing, ion exchange, membrane filtration, and adsorption. Adsorption is a practical and cost-effective strategy for eliminating chromium ions from wastewater. Metal-organic frameworks (MOFs) are porous inorganic-organic hybrids with excellent structural homogeneity and flexibility, making them promising materials for adsorption. UiO-66 is a 3D porous material with large and uniform pores, excellent hydrothermal and chemical stability, and a high surface area. However, UiO-66 has low adsorption capacity and selectivity, limiting its utility. Modification of UiO-66 with specific functional groups can enhance its capacity and selectivity. Graphene oxide (GO) and its composites have been extensively investigated as robust adsorbent materials. The intercalation of GO with UiO-66-NDC enhances its adsorption performance, creating a synergistic effect. Previous studies have demonstrated the efficacy of UiO-66-NDC in adsorbing various heavy metals, such as Cr(VI), due to its well-defined pores and strong metal-ligand interactions. Introducing GO into the composite provides additional active sites and improves the overall stability and conductivity, enhancing the adsorption capacity. This composite material exhibits improved adsorption kinetics and thermodynamics, making it a promising candidate for the efficient removal of Cr(VI) from water systems. The study aims to assess the effectiveness of GO/UiO-66-NDC nanocomposite, synthesized by combining the advantages of UiO-66-NDC and graphene oxide nanocomposite,