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

Duguet, Thomas and Bessaguet, Camille and Aufray, Maëlenn and Esvan, Jérôme and Charvillat, Cédric and Vahlas, Constantin and Lacaze-Dufaure, Corinne Toward a computational and experimental model of a poly-epoxy surface. (2015) Applied Surface Science, 324. 605-611. ISSN 0169-4332

(Document in English)

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Official URL: http://dx.doi.org/10.1016/j.apsusc.2014.10.096


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.

Item Type:Article
Additional Information:Thanks to Elsevier editor. The definitive version is available at http://www.sciencedirect.com/science/article/pii/S0169433214023368
HAL Id:hal-01105225
Audience (journal):International peer-reviewed journal
Uncontrolled Keywords:
Institution:French research institutions > Centre National de la Recherche Scientifique - CNRS (FRANCE)
Université de Toulouse > Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE)
Université de Toulouse > Université Toulouse III - Paul Sabatier - UT3 (FRANCE)
Laboratory name:
Deposited On:20 Jan 2015 08:45

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