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| 2. |
- Lian, Ke-Yan, et al.
(författare)
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Density-functional studies of plasmons in small metal clusters
- 2009
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Ingår i: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 130:17
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Tidskriftsartikel (refereegranskat)abstract
- We study the formation of plasmon modes of small gold clusters by modeling the excitation spectra. The shape change of the longitudinal mode as a function of cluster size is studied using time-dependent Kohn-Sham theory and Gaussian basis sets. The presence of d electrons in gold atoms affect the plasmon formation process, resulting in a high excitation energy for transverse mode and a complicated spectra profile in general. The transverse mode can still be identified with the help of a frozen-orbital approximation.
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| 3. |
- Wu, Mingxing, et al.
(författare)
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High-performance phosphide/carbon counter electrode for both iodide and organic redox couples in dye-sensitized solar cells
- 2012
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Ingår i: Journal of Materials Chemistry. - : Royal Society of Chemistry (RSC). - 0959-9428 .- 1364-5501. ; 22:22, s. 11121-11127
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Tidskriftsartikel (refereegranskat)abstract
- In the present study, molybdenum phosphide (MoP), nickel phosphide (Ni5P4), and carbon-supported Ni5P4 (Ni5P4/C) were proposed for use as counter electrode (CE) catalysts in dye-sensitized solar cells (DSCs) for the regeneration of both the conventional I-3(-)/I- redox couple and a new organic T-2/T- redox couple. For the I-3(-)/I- redox couple, the DSCs using MoP and Ni5P4 CE yielded a power conversion efficiency (PCE) of 4.92 and 5.71%, and the DSC using Ni5P4/C showed a high PCE of 7.54%, which was close to that of the DSC using Pt CE (7.76%). For the T-2/T- redox couple, Ni5P4/C performed much better than Pt and the DSC using Ni5P4/C CE showed a PCE of 4.75%, much higher than the photovoltaic performance of the DSC using Pt CE (3.38%).
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| 4. |
- Yao, Mingguang, et al.
(författare)
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Raman signature to identify the structural transition of single-wall carbon nanotubes under high pressure
- 2008
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - : American Physical Society. - 1098-0121 .- 1550-235X. ; 78:20
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Tidskriftsartikel (refereegranskat)abstract
- Raman spectra of single-walled carbon nanotubes (SWNTs) with diameters of 0.6–1.3 nm have been studied under high pressure. A “plateau” in the pressure dependence of the G-band frequencies was observed in all experiments, both with and without pressure transmission medium. Near the onset of the G-band plateau, the corresponding radial breathing mode (RBM) lines become very weak. A strong broadening of the full width at half maximum of the RBMs just before the onset of the G-band plateau suggests that a structural transition starts in the SWNTs. Raman spectra from SWNTs released from different pressures also indicate that a significant structural transition occurs during the G-band plateau process. Simulations of the structural changes and the corresponding Raman modes of a nanotube under compression show a behavior similar to the experimental observations. Based on the experimental results and the theoretical simulation, a detailed model is suggested for the structural transition of SWNTs, corresponding to the experimentally obtained Raman results in the high-pressure domain.
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