Electronic structures of the self-assembled monolayer of molecules of symmetric disulfides of benzoic acid

Y. H. Tang, M. H. Tsai

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2 Scopus citations

Abstract

The first-principles calculation method has been used to obtain electronic structures of self-assembled monolayer of molecules of symmetric disulfides of benzoic acid with functional elements of H, F, and Br. It is found that these functional elements strongly alter the dipole moment of the molecule depending on their electronegativity and sizes. The molecular dipole moments and energy gaps are found to have nonlinear response to the high applied electric field typically used in nanoscience and nanotechnology applications.

Original languageEnglish
Article number113404
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume75
Issue number11
DOIs
StatePublished - 22 Mar 2007

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