The effect of molecular structure of imidazole-based compounds on corrosion inhibition of Cu, Zn, and Cu-Zn alloysMilošev, Ingrid (Avtor) Taheri, Peyman (Avtor) Kapun, Barbara (Avtor) Kozlica, Dževad (Avtor) Mol, Arjan (Avtor) Kokalj, Anton (Avtor) Three imidazole-based compounds (imidazole, 2-mercaptobenzimidazole, and 2-mercapto-1-methylbenzimidazole) were studied as corrosion inhibitors of Cu, Zn, and a family of Cu-xZn brass alloys (x = 10−40 wt%) in 3 wt% NaCl solution. The composition of inhibitor layers on the surface was studied using X-ray photoelectron and infrared spectroscopies. The molecular adsorption modes on Cu and Zn were modelled using density-functional theory (DFT) calculations. Mercapto-based inhibitors act as efficient inhibitors on all materials studied due to the formation of inhibitor layer through bonding with nitrogen and sulphur atoms. In contrast, imidazole is a moderate inhibitor for Zn, while it is much less efficient for Cu.Elsevier20242025-04-18 11:25:16Neznano22067Nizozemskasl© 2024 The Author(s).