Experimental and Theoretical Strategies for Multidisciplinary PTFE@TiO2-Based Microfibres Loaded with Multiple Metal Oxides for Anti-corrosion and Self-Cleaning Aerospace Applications

Spacecraft of the future must endure material deterioration and prolonged exposure to harsh space environments, necessitating the development of advanced materials with exceptional corrosion resistance and self-cleaning properties. To address these challenges, this study synthesizes novel PTFE@TiO2@ZnO (PFTZ), PTFE@TiO2@CuO (PFTC), and PTFE@TiO2@rGO (PFTG) microfibers for aerospace applications. A comprehensive evaluation was conducted to determine their physicochemical, morphological, electrical, and wettability properties, focusing on their potential for nextgeneration protective coatings. FESEM revealed that the PFTZ microfibers exhibit a well-defined porous network with an average pore size of 1.54 μm, promoting enhanced surface interactions. Contact angle measurements demonstrated that PFTZ exhibits the highest hydrophobicity (156.8°), classifying it as a superhydrophobic surface, which significantly minimizes water adhesion, thereby preventing oxidation and surface degradation. This superior hydrophobic behavior enhances its suitability for anticorrosion applications by acting as a moisture barrier against aggressive environments. Additionally, PFTZ demonstrated favorable electrical conductivity (15.6×10⁻2 S/m) and a surface roughness of 4.9 μm. Additionally,
density functional theory (DFT) calculations were performed to analyze theoretical density of states (DOS), total dipole moment (TDM), HOMO/LUMO band gap, molecular electrostatic potential (MESP) map, and reactivity factors such s softness, hardness, nucleophilicity, and electrophilicity. The inhibition efficiency of these composites was examined through electron transfer (ΔN) and the highest Gibbs free energy adsorption capacity (∆Gads) for Cu, Al, and Fe metals, revealing that PFTZ exhibited the highest ∆Gads, indicating superior spontaneous cathodic chemical adsorption with metal surfaces. These findings highlight the role of ZnO hybridization in enhancing the protective properties of PTFE@TiO2 microfibers. Among the studied composites, PFTZ exhibited the highest efficiency for self-cleaning and anticorrosion applications, particularly in extreme environments. This study underscores the importance of multi-functional composite coatings that can improve material durability, thereby extending the operational lifespan of aerospace components subjected to extreme conditions.