Density functional theory investigation on the adhesion of epoxy ortho cresol novolac monomer to aluminum

Density functional theory investigation on the adhesion of epoxy ortho cresol novolac monomer to aluminum

The adhesion strength of epoxy ortho-cresol novolac (EOCN) resin monomer to aluminum atom was calculated using Density Functional Theory (DFT). EOCN is used as a component of the epoxy molding compound which encapsulates semiconductor products. The monomer of EOCN was optimized using hybrid density...

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Bibliographic Details
Main Authors: Padama, A. A., Villagracia, Al Rey C., Arboleda, Nelson, Jr., Pobre, Romeric F., Quiroga, R.
Format: text
Published: Animo Repository 2007
Subjects:
Density functionals
Adhesion
Surface chemistry
Biological and Chemical Physics
Materials Chemistry
Physical Sciences and Mathematics
Online Access:https://animorepository.dlsu.edu.ph/faculty_research/12316
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Institution: De La Salle University
Description
Summary:The adhesion strength of epoxy ortho-cresol novolac (EOCN) resin monomer to aluminum atom was calculated using Density Functional Theory (DFT). EOCN is used as a component of the epoxy molding compound which encapsulates semiconductor products. The monomer of EOCN was optimized using hybrid density functional B3LYP with 6311 basis set. The electron surface potential map of the optimized EOCN monomer was plotted. The aluminum atom was placed at different orientations and was allowed to approach the EOCN monomer from a distance of 6 A. Total energy calculation was made for each orientation. The results showed that the aluminum atom will adhere most likely to the oxygen at the epoxide ring.

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