کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5396097 | 1505741 | 2013 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Work-function modification of the (1Â 1Â 1) gold surface upon deposition of self-assembled monolayers based on alkanethiol derivatives
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The modification in the work-function of the (1Â 1Â 1) gold surface upon deposition of self-assembled monolayers (SAMs) based on alkanethiol derivatives has been characterized at the Density Functional Theory level when introducing chemical derivatizations. Chemical derivatizations have been introduced by: (i) replacing thiol as anchoring group by selenol or isocyanide functionalities; and (ii) introducing terminal electroactive substituents varying by their electron donor versus acceptor character. Changes in the anchoring group have shown that substitution of S by Se has no significant impact on the total work-function shift. Consideration of various terminal substituents has also pointed to the key role played by internal restructuration of the SAM geometry on the work-function. These results contribute in establishing guidelines toward a fine control of interface engineering in opto-electronic devices.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Electron Spectroscopy and Related Phenomena - Volume 189, August 2013, Pages 32-38
Journal: Journal of Electron Spectroscopy and Related Phenomena - Volume 189, August 2013, Pages 32-38
نویسندگان
David Cornil, Jérôme Cornil,