Dithiocarbamate Anchoring in Molecular Wire Junctions: A First Principles Study
نویسندگان
چکیده
منابع مشابه
Tuning the electron transport of molecular junctions by chemically functionalizing anchoring groups: First-principles study
In this first-principles study, we present density-functional calculations of the electronic structures and electron transport properties of organic molecular junctions with several anchoring groups containing atoms with different electronegativities, i.e., benzenediboronate (BDB), benzenedicarboxylate (BDC), and dinitrobenzene (DNB) molecular junctions sandwiched between two Cu(110) electrodes...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry B
سال: 2006
ISSN: 1520-6106,1520-5207
DOI: 10.1021/jp0610665