Toward a computational and experimental model of a poly-epoxy surface

Thomas Duguet (1) , Camille Bessaguet (1) , Maëlenn Aufray (1) , Jérôme Esvan (1) , Cédric Charvillat (1) , Constantin Vahlas (1) , Corinne Lacaze-Dufaure (1)

1 CIRIMAT - Centre interuniversitaire de recherche et d'ingenierie des matériaux

A model poly-epoxy surface formed by the reaction of DGEBA and EDA is studied by the combination of experiments and DFT calculations. A special synthesis protocol is presented leading to the formation of a surface that is smooth (S a < 1 nm), chemically homogeneous, and that presents a low-defect density (0.21 μm -2 ), as shown by AFM characterizations. Then, XPS is used for the determination of the elemental and functional groups’ surface composition. DFT allows the identification and assignment of individual bonds contributions to the experimental 1s core-level peaks. Overall, we demonstrate that such a model sample is perfectly suitable for a use as a template for the study of poly-epoxy surface functionalization.

Mots clés: Epoxy; Amine; Surface science; AFM; XPS; DFT

Domaines: Matériaux; Matériaux

Thomas Duguet, Camille Bessaguet, Maëlenn Aufray, Jérôme Esvan, Cédric Charvillat, et al.. Toward a computational and experimental model of a poly-epoxy surface. Applied Surface Science, 2015, vol. 324, pp. 605-611. ⟨10.1016/j.apsusc.2014.10.096⟩. ⟨hal-01105225⟩