Silane-Modified MXene\nNanosheets for Improved Anticorrosive\nProperties of Epoxy Coatings: A Combined Experimental and Computational\nStudy

Ti<sub>3</sub>C<sub>2</sub>T<sub><i>x</i></sub> (MXene)\nnanosheets have been widely noticed and investigated by researchers\nas a strategy to enhance the anticorrosive properties of epoxy resin\n(EP) coatings, but their proclivity to accumulate and poor compatibility\nwith the resin matrix limit their further application. In this paper,\nMXene was modified using a simple one-pot synthesis with (3-glycidoxypropyl)trimethoxysilane\nas a surface modifier, and EP composite anticorrosive coatings were\nprepared using MXene and modified MXene (M-MX) as fillers. Compared\nwith MXene, M-MX has better dispersion in the coating, which can effectively\nenhance the anticorrosive property of the coating. Among all of the\ncoatings, the composite coating containing 1 wt % M-MX showed the\nbest anticorrosive effect after immersion in a 3.5 wt % NaCl solution\nfor 21 days. The results of salt spray testing and corrosion product\nanalysis indicated that the trend of the corrosion resistance of different\ncoatings was EP < 0.5M-MX < 1MX < 2M-MX < 1M-MX. According\nto the results of density functional theory and molecular dynamics\ncalculations, all nanosheets were able to block the corrosive medium\nin the epoxy coatings. Also, M-MX dispersed more uniformly in the\ncomposite coatings, which made the system more compact, prolonged\nthe penetration paths of the corrosive medium, slowed down the diffusion\nof the corrosive medium, and thus provided the coatings with more\nexcellent corrosion resistance properties.