期刊
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
卷 133, 期 2, 页码 184-187出版社
AMER CHEMICAL SOC
DOI: 10.1021/ja107340t
关键词
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资金
- EU through the BIMORE Network [MRTN-CT-2006-035859]
- Young Investigator Group
- DFG [1243]
- Swiss National Science Foundation [200021_124643, NFP62]
- ITN FP7 Network FUNMOLS
- Swiss National Science Foundation
- Swiss Nanoscience Institute
- National Center of Competence in Nanoscale Sciences
We present a combined experimental and theoretical study of the electronic transport through single-molecule junctions based on nitrile-terminated biphenyl derivatives. Using a scanning tunneling microscope-based break-junction technique, we show that the nitrile-terminated compounds give rise to well-defined peaks in the conductance histograms resulting from the high selectivity of the N-Au binding. Ab initio calculations have revealed that the transport takes place through the tail of the LUMO. Furthermore, we have found both theoretically and experimentally that the conductance of the molecular junctions is roughly proportional to the square of the cosine of the torsion angle between the two benzene rings of the biphenyl core, which demonstrates the robustness of this structure-conductance relationship.
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