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MXene-Reinforced Epoxy Adhesives in Structural Bonding: Experimental Investigation and MD Simulations
Journal article   Open access   Peer reviewed

MXene-Reinforced Epoxy Adhesives in Structural Bonding: Experimental Investigation and MD Simulations

Elham Hajizamani, Omid Moini Jazani and Hossein Riazi
Polymer composites, v 46(15), pp 14275-14292
20 Oct 2025
url
https://doi.org/10.1002/pc.30058View
Published, Version of Record (VoR) Open

Abstract

Materials Science, Composites Science & Technology Materials Science Physical Sciences Polymer Science Technology
This study addresses the effect of the morphology and surface chemistry of Ti3C2Tx MXene nanoparticles (NPs) on the mechanical properties, adhesion, and thermal stability of the epoxy-based adhesives using a combination of experimental and molecular dynamics (MD) simulation techniques. The results reveal that the incorporation of 0.5 phr (3-aminopropyl) triethoxysilane (APTES)-functionalized MXene enhances the tensile strength, modulus, toughness, lap shear strength, and initial degradation temperature (TIDT) by 14.08%, 32.19%, 50.81%, 56.13%, and 14.40%, respectively, compared to the neat adhesive. The results show that the adhesives reinforced by the functionalized NPs exhibit the best performance in comparison with those reinforced by blank single-layer or multilayer NPs. The MD simulation results indicate that the blank single-layer and multilayer MXene NPs increase the flexibility and diffusivity of the epoxy chains and also demonstrate that using single-layer MXene leads to a higher modulus compared to using multilayer MXene, which confirms the experimental trends.

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