Zhou, YuxinYuxinZhouLu, XiaopengXiaopengLuWürger, TimTimWürgerHöche, DanielDanielHöcheZheludkevich, Mikhail L.Mikhail L.ZheludkevichWang, FuhuiFuhuiWang2024-04-182024-04-182024-05-15Corrosion Science 232: 112009 (2024-05-15)https://hdl.handle.net/11420/47152The microstructure and composition of corrosion film deposited on pure Mg were systematically investigated, and for the first time DFT was used to reveal the adsorption behavior of carboxylates on the surface of corrosion layer rather than the metallic Mg. Presence of carboxylate inhibitor dramatically modified composition of the corrosion film and bonded directly with Mg atoms in the outermost MgO based corrosion layer by means of carboxyl. The bonded Mg atoms were lifted by 0.8 – 1.1 Å from their original position when abundant inhibitors started to act as complexing agent, leading to deteriorated inhibition effect.en0010-938X2024Elsevier ScienceDFTInhibitorInterfaceMagnesiumChemistryJournal Article10.1016/j.corsci.2024.112009Journal Article