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Effect of different electrodes on Fano resonance in molecular devices
23. C. Wang, A. S. Batsanov, M. R. Bryce, S. Martín, R. J. Nichols, S. J. Higgins, V. M. García-Suárez, and C. J. Lambert, J. Am. Chem. Soc. 131, 15647 (2009).
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By using nonequilibrium Green’s function in combination with density functional theory, we study the electronic transportproperties of two typical π-conjugated molecules (dithiol-benzene and C 4 S 2), sandwiched between two metallic electrodes made of different metals. The presence of two different electrodes leads to Fano resonances at certain energy. As a consequence, electronic transport in future molecular electric circuits can be substantially affected when the molecular devices placed between electrodes with different chemical potentials. The Fano line shapes reveal that there is nonresonant channel when two asymmetric electrodes are employed.
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