Synthetic dyes are prevalent organic contaminants in the effluents of industries such as textiles, paper, cosmetics, and pharmaceuticals, pose a significant environmental challenge due to their resistance to conventional treatment methods. The potential toxicity, carcinogenicity, and detrimental effects on both human health and the environment highlight the urgent need for development of technologies to efficiently remove synthetic dyes from water and wastewater. However, this is not the only environmental issue that demands attention. To mitigate the adverse impact of climate change, hydrogen, as a clean and sustainable renewable energy source, holds immense promise for reducing dependence on fossil fuels in the transportation sector. The development of materials with superior hydrogen adsorption capacities is pivotal for realizing the potential energy source to employ in transportation.Graphene oxide (GO) has developed interest as an adsorbent for water treatment and hydrogen storage applications, owing to its unique layered structure, high surface area, and numerous functional groups. This study first explores and evaluates the potential of GO as an effective alternative to commonly used adsorbents such as Granular activated carbon (GAC) and Zeolite NaY (NaY) for the removal of synthetic dyes. The research focuses on two synthetic dyes, Methylene Blue (MB) and Rhodamine B (RhB), varying in molecular size and structure. It assesses adsorbents' removal efficiency under slow-mixing condition to simulate large-scale conditions.Further, this research investigates the effect of surface modifications of GO and reduced GO (rGO) on surface area and hydrogen storage. To accomplish this objective, two different isotherm models Braunauer-Emmett-Teller (BET) and Density Functional Theory (DFT) as well as two different molecular size and polarity gas probe molecules, Nitrogen (N2) and Hydrogen (H2) were employed to measure the surface area of materials.