Experimental and Theoretical Studies toward Superior Anti-corrosive Nanocomposite Coatings of Aminosilane Wrapped Layer-by-Layer Graphene Oxide@MXene/Waterborne Epoxy

Herein, layer-by-layer MXene/graphene oxide nanosheets wrapped with 3-aminopropyltriethoxy silane (abbreviated as F-GO@MXene) are proposed as an anti-corrosion promoter for waterborne epoxies. The GO@MXene nanohybrid is synthesized by a solvothermal reaction to produce a multi-layered 2D structure without defects. Then, the GO@MXene is modified by silane wrapping under a reflux reaction, in order to achieve chemical stability and to create active sites on the nanohybrid surface for reaction with the polymer matrix of the coating. The organic coating modified with 0.1 wt % F-GO@MXene has revealed superior corrosion protection efficiency than the organic coatings modified with either F-GO or F-MXene nanosheets. The impedance modulus at low frequency for the pure epoxy, epoxy/F-MXene, epoxy/F-GO, and epoxy/F-GO@MXene coatings is 4.17 x 10(5), 5.5 x 10(8), 4.46 x 10(8), and 1.14 x 10(10) Omega.cm(2) after 30 days of immersion in the corrosive media, respectively. The remarkable anti-corrosion property is assigned to the intense effect of the nanohybrid on the barrier performance, surface roughness, and adhesion strength of the epoxy coating. The complemental analysis based on first-principles density functional theory reveals that the adhesion strength related to the silane functional groups in its complexes follows the order F-GO@MXene > F-MXene > F-GO. The enhanced stabilization predicted on the GO@MXene nanohybrid ultimately stems from the combined role of the electrostatic and van der Waals forces, suggesting an increase in the penetration path of the corrosive media.