Synthesis and characterization of brominated activated carbon using a green strategy: Combined experimental and theoretical study

Sustainable brominated activated carbon (Br-AC) was prepared using cetyltrimethylammonium tribromide (CTMATB) for bromination. The feedstock was locally available Ravenna grass, a biowaste material. Characterization using FESEM/EDX, FTIR, XRD, BET, and XPS showed significant structural and chemical changes in brominated activated carbon, with a rougher surface, larger pores, and reduced surface area and pore volume compared to activated carbon. Bromine-functional groups formed C-Br covalent bonds on the Activated carbon surface. DFT calculations indicated strong bromination favorability, with interaction energies between −442.07 kJ/mol and −493.61 kJ/mol, suggesting Br 3- dissociation from CTMATB forms strong C-Br bonds on the carbon surface.