| Autor: |
Quek, Su Ying, Venkataraman, Latha, Choi, Hyoung Joon, Louie, Steven G., Hybertsen, Mark S., Neaton, J. B. |
| Rok vydání: |
2007 |
| Předmět: |
|
| Druh dokumentu: |
Working Paper |
| DOI: |
10.1021/nl072058i |
| Popis: |
The measured conductance distribution for single molecule benzenediamine-gold junctions, based on 59,000 individual conductance traces recorded while breaking a gold point contact in solution, has a clear peak at 0.0064 G$_{0}$ with a width of $\pm$ 40%. Conductance calculations based on density functional theory (DFT) for 15 distinct junction geometries show a similar spread. Differences in local structure have a limited influence on conductance because the amine-Au bonding motif is well-defined and flexible. The average calculated conductance (0.046 G$_{0}$) is seven times larger than experiment, suggesting the importance of many-electron corrections beyond DFT. |
| Databáze: |
arXiv |
| Externí odkaz: |
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