Embedded steel in reinforced concrete structures is placed in a highly alkaline environment provided by the chemical composition of cement and the presence of moisture. Ca(OH)₂ is one of the key chemicals contributing to alkalinity. This alkaline environment is crucial for maintaining the protective passive layer on the rebars. For instance, a combined experimental and DFT study demonstrated that Ca(OH)2 plays a major role in steel rebar passivation under concrete. The experimental results showed that passive films generated by Ca(OH)2 are highly stable and effective in preventing corrosion than it is with NaOH. The measured zeta potential showed positive values at a high alkaline medium (> ~10. surfaces with and without vdW corrected optimized geometries.