| 1. |
- Li, Z. L., et al.
(författare)
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Effect of the electronic dimensionality of electrodes on the current-voltage characteristics of single molecular devices
- 2004
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Ingår i: Wuli xuebao. - : Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences. - 1000-3290. ; 53:5, s. 1490-1495
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Tidskriftsartikel (refereegranskat)abstract
- The electrodes can be constructed by different dimensionality of electronic systems in energy representation when the current through the molecular junction is measured. Basing on the elastic scattering Green function theory, we have developed the theoretical methods for studying the electronic transport properties of molecular junctions and paid attention to the influence of the dimensionality of electrodes. The alpha, alpha'-xylyl dithiol molecule is taken as an example and its current-voltage characteristics have been investigated for electrodes with different-dimension electronic systems. The numerical results show that dimensionality of metal contacts has strong effect on the current-voltage characteristics of molecular junction, in particular the shape of the conductance curves.
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| 2. |
- Zhao, K., et al.
(författare)
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Studies on two-photon absorption cross-sections of 1,4-dimethoxy-2,5-divinyl-benzene derivatives
- 2005
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Ingår i: Wuli xuebao. - : Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences. - 1000-3290. ; 54:6, s. 2662-2668
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Tidskriftsartikel (refereegranskat)abstract
- The one-photon and two-photon absorption properties of a series of 1, 4-dimethoxy-2, 5-divinyl-benzene derivatives are investigated by use of the analytic response theory at HF level. The one-photon and two-photon fluorescence spectra of E, E-2-5Bis[4'-(N, N-di-n-butylamino) styryl]-1 4-dimenthoxybenzene are measured. The numerical results show that these molecules have strong two-photon absorption cross sections. In the visible light region, the maximal one-photon absorption strengths of the molecules occur in the first excited state. Furthermore, the maximal two-photon absorption cross sections of the D-pi-A typed molecules still appear in the first state, but for D-pi-D typed molecules the second excited state has the maximal two-photon absorption cross-section. The optical properties of the molecules are closely related to the electric property of the donor and acceptor. The symmetrically substituted molecules can not be determined to have a larger two-photon absorption cross section than the asymmetrically substituted molecules for such a kind of pi-center. The charge-transfer process for the charge-transfer states is displayed, and then the mechanism of photopolymerization is discussed qualitatively.
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| 3. |
- Ma, Y., et al.
(författare)
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Theoretical studies on electronic transport properties of six-membered heterocyclic molecules
- 2006
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Ingår i: Wuli xuebao. - : Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences. - 1000-3290. ; 55:4, s. 1974-1978
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Tidskriftsartikel (refereegranskat)abstract
- By applying the elastic scattering Green's function theory in combination with the hybrid density function theory, the electronic transport properties of molecular junctions constructed by the six-membered heterocyclic molecules, pyridazine-2, 5-dithiol, pyrazine-2, 5-dithiol, and pyrimidine-2, 5-dithiol, have been studied. For the heterocyclic molecule pyridine, the influence of the terminal atoms on the current-voltage characteristics has also been obtained. We have accurately determined the coupling constant between the molecule and electrodes by using the frontier molecular orbital theory and the perturbation method. The numerical results show that pyridazine-2,5-dithiol has higher current and conductance, while the conductance of pyrimidine-2, 5-dithiol is very small when the bias voltage is lower than 4V. The conductivity of the molecule pyridine with selenium atom as the terminal atom is higher than that with oxygen atom or sulfur atom.
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| 4. |
- Wang, S. Y., et al.
(författare)
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High-spin level scheme of Cs-126
- 2004
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Ingår i: Gaoneng wuli yu he wuli. - 0254-3052. ; 28:5, s. 491-494
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Tidskriftsartikel (refereegranskat)abstract
- High-spin states of Cs-126 have been populated via the Cd-116(N-14, 4n) Cs-126 reaction. The experiment was performed at Niels Bohr Institute in Denmark in 1991. After careful data analysis, most of the previously-known bands have been pushed up to much higher spins and 3 new rotational sequences have been identified. Spin, parity and configuration assignments are tentatively proposed for all of the observed bands.
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