This study investigates the removal of As(V) from aqueous media using water stable UiO-66-NDC/GO prepared via the solvothermal procedure. The synthesized material was analyzed by Raman spectroscopy, UV-visible, X-ray powder diffraction (XRD), Transmission electron microscopy (TEM), Fourier Transform Infrared spectroscopy (ATR-FTIR), scanning electron microscopy (SEM), and Brunauer-Emmett-Teller (BET) support its applicability as a super-adsorbent for the adsorption of As(V) ions from aqueous solutions. The effect of various parameters, including initial ion concentration, temperature, adsorbent dose, and pH on the adsorption of As(V) was studied to recognize the optimum adsorption conditions. The q obtained for this study using Langmuir isotherms was found at 147.06 mg/g at room temperature. Thermodynamic parameters ΔH°, ΔG°, and ΔS° were also calculated and negative values of ΔG° represent that the As(V) adsorption process occurred exothermically and spontaneously. Meanwhile, theoretical density functional simulation findings are accommodated to support these experimental results. It is observed that the dynamic nature of graphene oxide and the UiO-66 NDC nanocomposite system becomes superior for adsorption studies due to delocalized surface states. UiO-66-NDC/GO also showed high reusability for up four regeneration performances using 0.01 M HCl as a regenerant.