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Currently, solid waste residuals (originated from biomass sources) are not of proper utilization since they are usually disposed through landfill or they are being left to degrade naturally. These two pathways for disposing such waste are of negative influences on the surrounding environment because of releasing hazardous emissions that are accrued at atmosphere layers, leading to several problems such as air pollution and acid rains as well as climate change. Thus, the implementation of temperature-dependent process, under controlled conditions, to convert these solid residuals into valuable products is strongly stimulated globally. In an agreement with this trend, the current research study presents production of activated carbon (AC) species from cane bagasse (biomass-based waste) using thermochemical treatment. Functionalizing of these carbon species was consequently carried out to obtain efficient adsorbents for the production of highly pure grade of commercial phosphoric acid via disposal of its organic matter contaminants. Fictionalization stage had included loading molecules of phosphoric acid only or phosphoric acid/nickel onto the particles of the as-prepared activated carbon. These two structures could exhibit increased adsorption capability toward species of organic matters compared to that detected by blank particle of activated carbon. Specifically, 73.4, 79.3, and 99.0 mg g−1were, respectively, observed as adsorption capacities for blank AC, acid-modified AC, and acid/ metal AC structures. The adsorption of organic matters by these three carbon-based structures showed similar isotherms as well as kinetics behavior. Particularly, pseudo-second-order and Langmuir models are assigned as the best fit for the experimentally acquired data during current investigation. Additionally, the studied thermodynamic parameters of organic matters capture indicated that the process is an endothermic, physical, and spontaneous process.