First-Principles Study of Epoxy Resin Adhesion to Tin Oxide Surface

Abstract:

A density functional theory (DFT) is used to investigate the energetics of an epoxy resin adhere on a tin oxide and a hydroxylated-alumina surface within a supercell approach. Self—consistent geometry optimization is performed for models of adhesion interface, which is comprised of a fragment of epoxy resin and hydroxylated-Al₂O₃ (001), and SnO2(001) and (110) surface. The epoxy resin studied was simplified fragment based on diglycidyl ether of bisphenol A (DGEBA). It is found that the distance between the resin and the surface where the adhesion force is maximized is substantially the same for all models. Analysis of the energy-distance plot reveals that the fragment of DGEBA molecule adhere most strongly to the SnO₂(001) surface, suggesting that the adhesion force is induced by van der Waals (vdW) interaction.

• Periodical: Materials Science Forum (Volume 1016)
• Pages: 1670-1675
• DOI: https://doi.org/10.4028/www.scientific.net/MSF.1016.1670
• Online since: January 2021
• Authors: Jun Yamashita*, Norio Nunomura
• Keywords: Adhesion, Corrosion Protection, Density Functional Theory, First-Principle Calculations, Resin

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