Functional materials with porosity are highly desired as adsorbents, catalysts, and drug-delivery vehicles. In this work, we have designed and synthesized Inorganic and organic hybrid material for energy application more specifically H2 evolution. A thorough examination of the porosity, surface chemistry, and proton conductivity of Fe₂O₃-BTC hybrid nanostructures with varying the mole ratio of the organic ligand (BTC, trimesic acid) to iron nitrate was also done. Concluded from results, the variation in the BTC content alters the porosity as well as proton conductivity of the hybrid nanoparticles. Thus, trimesic acid functionalized hybrid nanostructures with improved accessibility of pores showed enhanced and selective dye adsorption with adsorption capacity of 200 mg/g of best Fe₂O₃-BTC hybrid nanomaterial. BTC functionalized, Fe₂O₃-BTC hybrid nanomaterial provides charge dependent adsorption selectivity for positive (e.g., methylene blue) and negative (fluorescein) dye molecules from the aqueous solution of their mixture. Additionally, such designed Inorganic-organic hybrid nanostructures showed prominent electrocatalytically Hydrogen evolution. Functionalization of pores in the hybrid nanomaterial provides wettability to the pore channels, which allows the protons to conduct through H-bonded water molecules. As a result, the hybrid nanomaterial exhibits enhanced proton conductivity and electrochemical hydrogen evolution reaction. Chronoamperometry showed high stability of such functionalized nanostructures in acidic medium more than 12hrs. Here we proved that these kind of inorganic-organic hybrid structures are better than their counterparts (i.e., metal oxide or metal–organic framework) towards dye adsorption and Hydrogen evolution reaction.