Theoretical Investigation on the Electron Transport through Single Alkandithiol Molecules under Different Compression
| Autor: | Yan Wei Li, Jin Huan Yao, Ning Li, Jian Rong Xiao |
|---|---|
| Rok vydání: | 2010 |
| Předmět: |
Materials science
Mechanical Engineering Molecular electronics Non-equilibrium thermodynamics Condensed Matter Physics Compression (physics) Electron transport chain Spectral line Mechanics of Materials Chemical physics Electrode Molecule General Materials Science Density functional theory Atomic physics |
| Zdroj: | Materials Science Forum. :604-607 |
| ISSN: | 1662-9752 |
| Popis: | The influence of molecular compression on the electron transport through single alkandithiol molecules sandwiched between two gold (111) electrodes has been studied by nonequilibrium Green’s function technique combined with density functional theory. The results showed that the molecular compression may increase the molecular current under low bias while decrease the molecular current under high bias. The mechanism of the effect of molecular compression on the electron transport behavior has been discussed in terms of electronic structures and transmission spectra. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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