Tuning the electron transport of molecular junctions by chemically functionalizing anchoring groups: First-principles study
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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: Physical Review B
سال: 2012
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.85.245435