Corrosion inhibitors encapsulation in various nano-carriers is one of the best strategies for the construction of composite polymeric coatings with promising self-healing potency against harsh corrosive environments. In the present study, for the first time, a novel corrosion inhibitor nano-carrier was constructed by encapsulating the complex organic-inorganic inhibitors based on zinc acetylacetonate (ZnA) inside beta-cyclodextrin (β-CD). The smart anti-corrosion potency of the designed inclusion complex system was thoroughly explored in detail, applying complementary experimental (electrochemical and morphological) and electronic/atomic-scale computational investigations. The synthesized particles were examined by Fourier transform infrared spectroscopy (FT-IR), Raman spectroscopy, X-ray diffraction (XRD) analysis, and ultraviolet spectroscopy (UV–Vis). The thermal stability of the constructed nano-carriers was studied by the thermogravimetric analysis (TGA) technique, and the β-CD-ZnA sample showed about 11% remained weight (at 550 °C) higher than the unloaded β-CD, indicating the successful ZnA encapsulation in the interior cavity of the β-CD particles. The electrochemical measurement outcomes revealed that the β-CD-ZnA inclusion complex could inhibit metal corrosion with mixed anodic/cathodic protection mechanisms. The field emission scanning electron microscope (FE-SEM) micrographs proved the significant corrosion inhibition potency of the β-CD-ZnA inclusion complex toward the steel corrosion in NaCl solution. The electrochemical impedance spectroscopy (EIS) Results ensured that the incorporation of the β-CD-ZnA particles into a hybrid silane matrix caused significant coating corrosion resistance improvement (about 30 kΩ cm²). The atomic-scale Monte Carlo connected with molecular dynamics simulations, supported the adsorption of β-CD-ZnA inclusion over the metallic adsorbent.

将腐蚀抑制剂封装在各种纳米载体中是构建复合聚合物涂料的最佳策略之一，该涂料具有针对恶劣腐蚀环境的有希望的自我修复能力。在本研究中，首次通过将基于乙酰丙酮锌（ZnA）的复杂有机-无机抑制剂包封在β-环糊精（β）中，构建了新型缓蚀剂纳米载体。-光盘）。应用补充实验（电化学和形态学）以及电子/原子尺度的计算研究，对所设计的包合物系统的智能防腐效能进行了详尽的探讨。通过傅立叶变换红外光谱（FT-IR），拉曼光谱，X射线衍射（XRD）分析和紫外光谱（UV-Vis）检查合成的颗粒。通过热重分析（TGA）技术研究了构建的纳米载体的热稳定性，并且β -CD-ZnA样品的残余重量（在550°C时）比未装载的β -CD高约11％，表明成功地将ZnA封装在β的内腔中-CD颗粒。电化学测量结果表明，β -CD-ZnA夹杂物可以通过阳极/阴极混合保护机制抑制金属腐蚀。场发射扫描电子显微镜（FE-SEM）显微照片证明了β -CD-ZnA夹杂物对NaCl溶液中钢腐蚀的显着缓蚀能力。电化学阻抗谱（EIS）结果确保将β-CD-ZnA颗粒掺入杂化硅烷基质中可显着提高涂层的耐腐蚀性（约30kΩcm ²）。原子尺度的蒙特卡洛与分子动力学模拟相联系，支持了β的吸附-CD-ZnA夹杂在金属吸附剂上。