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

Y. H. Tang, M. H. Tsai

研究成果: 雜誌貢獻期刊論文同行評審

2 引文 斯高帕斯(Scopus)

摘要

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.

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文章編號113404
期刊Physical Review B - Condensed Matter and Materials Physics
75
發行號11
DOIs
出版狀態已出版 - 22 3月 2007

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