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

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

•A poly-epoxy surface designed for use as an experimental and theoretical template.•Surface shows low roughness, low defect density, and chemical homogeneity.•DFT calculations lead to identification and quantification of surface reactivity. A model poly-epoxy surface formed by the reaction of DGEBA...

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Veröffentlicht in:Applied surface science 2015-01, Vol.324, p.605-611
Hauptverfasser: Duguet, Thomas, Bessaguet, Camille, Aufray, Maëlenn, Esvan, Jérôme, Charvillat, Cédric, Vahlas, Constantin, Lacaze-Dufaure, Corinne
Format: Artikel
Sprache:eng
Schlagworte:
AFM
Amine
Atomic force microscopy
Chemical Sciences
Computation
Density
DFT
Engineering Sciences
Epoxy
Formations
Functional groups
Material chemistry
Materials
Mathematical models
Surface science
Synthesis
X-ray photoelectron spectroscopy
XPS
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Beschreibung
Zusammenfassung:•A poly-epoxy surface designed for use as an experimental and theoretical template.•Surface shows low roughness, low defect density, and chemical homogeneity.•DFT calculations lead to identification and quantification of surface reactivity. 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 (Sa
ISSN:0169-4332
1873-5584
DOI:10.1016/j.apsusc.2014.10.096