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

Abstract 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@TiO 2 @ZnO (PFTZ), PTFE@TiO 2 @CuO (PFTC), and PTFE@TiO 2 @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 next-generation 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 as 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@TiO 2 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.