In the present work, the dopamine (DOP) performance was improved by encapsulation into a novel amphiphilic beta-cyclodextrin (β-CD) nano-carrier. The inclusion complexes (β-CD-DOP) structure was identified by Ultraviolet-visible spectroscopy (UV-Vis), Fourier-transform infrared spectroscopy (FT-IR), X-ray diffraction analysis (XRD), Raman, and thermal gravimetric analysis (TGA) techniques. TGA assessments confirmed about 33% of DOP encapsulation in the β-CD cavity. The Electrochemical impedance spectroscopy (EIS) measurements in the solution (NaCl) phase after introducing β-CD-DOP have demonstrated 85% of corrosion attack retardation after 5 h iron exposure to 3.5% NaCl electrolyte. The samples were then analyzed via different morphological/elemental approaches, i.e., Field-Emission Scanning Electron Microscopy (FE-SEM), contact angle, Grazing incidence X-Ray diffraction (GIXRD), and Energy-dispersive X-ray spectroscopy (EDS)/Mapping. The self-healing mechanism after introducing β-CD-DOP into the SiC was investigated by EIS. Results confirmed the film resistance enhancement from 5540 Ω.cm² to 10900 Ω.cm² after 1 h steel exposure, affirming a considerable self-healing degree after β-CD-DOP inclusion. The silane-based coating (SiC) defected zone morphology was studied by EDS/Mapping and FE-SEM techniques. Besides, notable resistance enhancement of the intact SiC has (from 13032 Ω.cm² to 16231 Ω.cm²) demonstrated that most of the coating diffusion pathways were blocked by inclusion complexes, which could reduce the electrolyte/ion diffusion. Through Dispersion-corrected density functional theory (DFT-D) based explorations, the inclusion capacity of DOP inside the β-CD was investigated. The adsorption of DOP and β-CD/DOP on the steel substrate was proved by MC/MD calculations.

在目前的工作中，通过封装到新型的两亲性β-环糊精（β -CD）纳米载体中，提高了多巴胺（DOP）的性能。通过紫外可见光谱（UV-Vis），傅立叶变换红外光谱（FT-IR），X射线衍射分析（XRD），拉曼光谱和热重分析确定了包合物（β -CD-DOP）结构（TGA）技术。TGA评估证实DOP封装在β -CD腔中约33％。引入β -CD-DOP后在溶液（NaCl）相中的电化学阻抗谱（EIS）测量表明，在5次腐蚀后，腐蚀侵蚀延迟达到了85％ h铁暴露于3.5％NaCl电解质中。然后通过不同的形态/元素方法对样品进行分析，即场发射扫描电子显微镜（FE-SEM），接触角，掠入射X射线衍射（GIXRD）和能量色散X射线光谱（EDS） /映射。通过EIS研究了将β -CD-DOP引入SiC后的自愈机理。结果从5540确认该膜电阻的增强Ω.cm ²至10900Ω.cm ²后1对 H型钢曝光，确认后相当自愈度β-CD-DOP包含在内。通过EDS / Mapping和FE-SEM技术研究了硅烷基涂层（SiC）缺陷区的形貌。此外，完整的SiC的显着性的改善具有（从13032Ω.cm ²至16231Ω.cm ²）表明，大多数涂层扩散途径的由包合配合物，这可能会降低电解质/离子的扩散阻挡。通过基于色散校正的密度泛函理论（DFT-D）的探索，研究了DOP在β -CD内的包容能力。通过MC / MD计算证明了DOP和β -CD / DOP在钢基材上的吸附。