Ab initio calculations on twenty van der Waals dimers of small polar molecules at the experimentally observed intermolecular separation R, using Hartree-Fock molecular moments, show that the minima in the electroslatic mteraction expanded up to R-" converges to angular structures which are close to
On the angular shape of van der Waals dimers of small polar molecules: Chem. Phys. Letters 160 (1989) 469
โ Scribed by V. Magnasco; C. Costa; G. Figari
- Publisher
- Elsevier Science
- Year
- 1989
- Tongue
- English
- Weight
- 45 KB
- Volume
- 162
- Category
- Article
- ISSN
- 0009-2614
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โฆ Synopsis
In the above paper, we suggested that the observed asymmetric Z-V curves obtained with an STM on Au surfaces coated with hemiquinone monolayers represent molecular switching and rectification. Further studies have shown that films lacking these molecules sometimes exhibit Z-V curves with large discontinuities (from nA to PA)_ We also have evidence that in at least some of these cases the STM tip is contacting the surface. These new observations cast doubt on our suggested interpretation based only on the electrical properties of the molecules. Nevertheless, our experience is that the anomalous I-Vbehavior occurs more regularly and at lower voltages with the molecules present, than when the film is uncoated. We are currently trying to clarify the role of the molecules in producing the asymmetric electrical characteristics.
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