| 1. |
- Gao, Feng, et al.
(författare)
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Visible-light photocatalytic properties of weak magnetic BiFeO3 nanoparticles
- 2007
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Ingår i: Advanced Materials. - : Wiley-VCH Verlag. - 0935-9648 .- 1521-4095. ; 19:19, s. 2889-2892
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Tidskriftsartikel (refereegranskat)abstract
- Polycrystalline BiFeO3 nanoparticles (size 80-120 nm) are prepared by a simple sol-gel technique. Such nanoparticles are very efficient for photocatalytic decomposition of organic contaminants under irradiation from ultraviolet to visible frequencies. The BiFeO3 nanoparticles also demonstrate weak ferromagnetism of about 0.06 mu(B)/Fe at room temperature, in good agreement with theoretical calculations.
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| 2. |
- Hu, Wenping, et al.
(författare)
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Advancing conjugated polymers into nanometer-scale devices
- 2006
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Ingår i: Pure and Applied Chemistry. - : Walter de Gruyter GmbH. - 0033-4545 .- 1365-3075. ; 78:10, s. 1803-1822
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Tidskriftsartikel (refereegranskat)abstract
- In this article, we review the possibility of combining conjugated polymers with nanometer-scale devices (nanodevices), in order to introduce the properties associated with conjugated polymers into such nanodevices. This approach envisages combining the highly topical disciplines of polymer electronics and nanoelectronics to engender a new subdirection of polymer nanoelectronics, which can serve as a tool to probe the behavior of polymer molecules at the nanometer/molecular level, and contribute to clarifying transport mechanisms in conjugated polymers. In this study, we exemplify this combination, using a family of linear and conjugated polymers, poly(p-phenylene-ethynylene)s (PPEs) with thiolacetate-functionalized end groups.
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| 3. |
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| 4. |
- Lin, Lili, et al.
(författare)
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First-principles investigations on the anisotropic charge transport in 4,4 '-bis((E)-2-(naphthalen-2-yl)vinyl)-1,1 '-biphenyl single crystal
- 2014
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Ingår i: Theoretical Chemistry accounts. - : Springer Science and Business Media LLC. - 1432-881X .- 1432-2234. ; 133:9, s. 1551-
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Tidskriftsartikel (refereegranskat)abstract
- We applied the master equation method to investigate the anisotropic transport property of the 4,4'-bis((E)-2-(naphthalen-2-yl)vinyl)-1,1'-biphenyl molecular crystal based on first-principles calculation. It is found that the hole mobility has the largest value along the [100] direction, while electrons have the best transport property along the [010] direction. The anisotropic transport property was found to have close relationship with the charge transfer integral which is determined by the molecular stacking network in the crystals as well as the intermolecular frontier orbital overlap. In addition, the effect of the charge carrier density and the electronic field on the charge transport was also studied, and little effect was found except that the density is larger than 0.01 and the electronic field is increased to 1.0 x 106 V/cm. The kinetic Monte Carlo simulation method has also been used to study the anisotropic charge transport property, and consistent results were obtained as with the master equation method.
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| 5. |
- Lin, Lili, et al.
(författare)
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Theoretical insights into the charge transport in perylene diimides based n-type organic semiconductors
- 2012
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Ingår i: Organic electronics. - : Elsevier BV. - 1566-1199 .- 1878-5530. ; 13:11, s. 2763-2772
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Tidskriftsartikel (refereegranskat)abstract
- We employed a tunneling enabled hopping model to investigate the charge transport properties for four n-type organic semiconductors perylene diimides compounds. The molecular parameters are calculated by density functional theory and the transport is modeled by kinetic Monte Carlo simulation. It is found that the substitutions at the bay positions of the perylene core have large influences on the charge transport properties through modifications in molecular conformation, the charge reorganization energy as well as the stacking networks in the crystals. The temperature dependence of the mobility shows typical "band-like", in agreement with the recent experiment, but we ascribe it to be the characteristic of nuclear tunneling effect for a localized charge, not by a delocalized band. The largest charge mobility is calculated to be 16.96 cm(2)/V s for the cyano substitution, in good comparison with the experimental value of 6 cm(2)/V s.
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| 6. |
- Xiao, Kai, et al.
(författare)
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Photoelectrical characteristics of a C/CNx multiwalled nanotube
- 2007
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Ingår i: Advanced Functional Materials. - : Wiley. - 1616-301X .- 1616-3028. ; 17:15, s. 2842-2846
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Tidskriftsartikel (refereegranskat)abstract
- A nanotube diode fabricated from a single C/CNx multiwalled nanotube exhibits a large photocurrent and a large photovoltage under illumination. The current-voltage (I-V) characteristics of the diode indicate a clear rectification effect. By comparing the I-V characteristics of C, CNx, and C/CNx nanotube diodes, we show that the rectifying characteristics of the C/CNx diode arises from the molecular junction formed at the C/CNx interface where the C and CNx segments are chemically bonded. External radiation photochernically generates electrons and holes in the C/CNx nanotube, producing a large photocurrent because of the influence of the strong electric field in the vicinity of the C/CNx junction. These unique photoresponsive characteristics of C/CNx, nanotube junction diodes points to potential applications such as photovoltaic devices and photodiodes.
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