Polymer adhesion

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Volume Title

A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä

Date

2007-08-02

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Language

en

Pages

1-8

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PHYSICAL REVIEW B, Volume 76, issue 8

Abstract

The structures and energetics of organic molecules adsorbed onto clean and H-passivated Si (001) - (2×1) surfaces have been calculated using density functional theory. For benzene adsorbed on the clean Si surface the tight-bridge structure was found to be stable and the butterfly structure metastable. Both carbonic acid, H2 C O3, and propane, C3 H8, dissociate on contact with the surface. Passivation of the Si surface with H atoms has a dramatic effect on the surface properties. The passivated surface is very inert and the binding energy of all the molecules is very weak.

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Johnston , K & Nieminen , R M 2007 , ' Polymer adhesion : First-principles calculations of the adsorption of organic molecules onto Si surfaces ' , Physical Review B , vol. 76 , no. 8 , 085402 , pp. 1-8 . https://doi.org/10.1103/PhysRevB.76.085402