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31.
Ricardo Ferreira Affeldt Rodrigo Sebastian Iglesias Fabiano Severo Rodembusch Dennis Russowsky 《Journal of Physical Organic Chemistry》2012,25(9):769-777
In this article, a series of Hantzsch 1,4‐dihydropyridines with different substituted aryl groups were synthesized and its spectral data obtained by UV–Vis absorption and fluorescence emission spectroscopies in solution. The dihydropyridines present absorption located around 350 nm and fluorescence emission in the blue–green region. A higher Stokes’ shift could be observed for the derivative 3b because of an intramolecular charge transfer in the excited state from the dimethylaniline to the dihydropyridine chromophores, which was corroborated by a linear relation of the fluorescence maxima (νmax) versus the solvent polarity function (Δf) from the Lippert–Mataga correlation. A comparison between the experimental data and time‐dependent density functional theory‐polarizable continuum model calculations of the vertical transitions was performed to help on the elucidation of the photophysics of these compounds. For these calculations, the S0 and S1 states were optimized using Becke, three‐parameter, Lee–Yang–Parr/6‐31 G* and Configuration Interaction Singles/6‐31 G*, respectively. The predicted absorption maxima are in good agreement with the experimental; however, the theoretical fluorescence emission maxima do not match the experimental, which means that the excited specie cannot be related to neither a locally excited state nor to an aromatized structure. Copyright © 2012 John Wiley & Sons, Ltd. 相似文献
32.
33.
Bahamonde Sebastian Jamil Mubasher 《The European Physical Journal C - Particles and Fields》2015,75(10):1-11
The European Physical Journal C - LArGe is a Gerda low-background test facility to study novel background suppression methods in a low-background environment, for future application in the Gerda... 相似文献
34.
Jari M. Kinaret Mats Jonson Robert I. Shekhter Sebastian Eggert 《Physica E: Low-dimensional Systems and Nanostructures》1998,1(1-4)
We consider a mesoscopic ring connected to external reservoirs by tunnel junctions. The ring is capacitively coupled to an external gate electrode and may be pierced by a magnetic field. Due to strong electron–electron interactions within the ring the conductance shows Coulomb blockade oscillations as a function of the gate voltage, while Aharonov–Bohm interference effects lead to a dependence on the magnetic flux. The Hamiltonian of the ring is given by a Luttinger model that allows for an exact treatment of both interaction and interference effects. We conclude that the positions of conductance maxima as a function the external parameters can be used to determine the interaction parameter
, and the shapes of conductance peaks are strongly affected by electron correlations within the ring. 相似文献
35.
Raman spectroscopy of isolated carbyne chains confined in carbon nanotubes: Progress and prospects 下载免费PDF全文
Carbyne is an infinitely long linear chain of carbon atoms with sp1 hybridization and the truly one-dimensional allotrope of carbon. While obtaining freestanding carbyne is still an open challenge, the study of confined carbyne, linear chains of carbon encapsulated in carbon nanotubes, provides a pathway to explore carbyne and its remarkable properties in a well-defined environment. In this review, we discuss the basics and recent advances in studying single confined carbyne chains by Raman spectroscopy, which is their primary spectroscopic characterization method. We highlight where single carbyne chain studies are needed to advance our understanding of confined carbyne as a material system and provide an overview of the open questions that need to be addressed and of those aspects currently under debate. 相似文献
36.
Sebastian Gatz Helge Hannebauer Rene Hesse Florian Werner Arne Schmidt Thorsten Dullweber Jan Schmidt Karsten Bothe Rolf Brendel 《固体物理学:研究快报》2011,5(4):147-149
We demonstrate industrially feasible large‐area solar cells with passivated homogeneous emitter and rear achieving energy conversion efficiencies of up to 19.4% on 125 × 125 mm2 p‐type 2–3 Ω cm boron‐doped Czochralski silicon wafers. Front and rear metal contacts are fabricated by screen‐printing of silver and aluminum paste and firing in a conventional belt furnace. We implement two different dielectric rear surface passivation stacks: (i) a thermally grown silicon dioxide/silicon nitride stack and (ii) an atomic‐layer‐deposited aluminum oxide/silicon nitride stack. The dielectrics at the rear result in a decreased surface recombination velocity of Srear = 70 cm/s and 80 cm/s, and an increased internal IR reflectance of up to 91% corresponding to an improved Jsc of up to 38.9 mA/cm2 and Voc of up to 664 mV. We observe an increase in cell efficiency of 0.8% absolute for the cells compared to 18.6% efficient reference solar cells featuring a full‐area aluminum back surface field. To our knowledge, the energy conversion efficiency of 19.4% is the best value reported so far for large area screen‐printed solar cells. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
37.
Kummerlöwe G Grage SL Thiele CM Kuprov I Ulrich AS Luy B 《Journal of magnetic resonance (San Diego, Calif. : 1997)》2011,209(1):19-30
The successful measurement of anisotropic NMR parameters like residual dipolar couplings (RDCs), residual quadrupolar couplings (RQCs), or residual chemical shift anisotropy (RCSA) involves the partial alignment of solute molecules in an alignment medium. To avoid any influence of the change of environment from the isotropic to the anisotropic sample, the measurement of both datasets with a single sample is highly desirable. Here, we introduce the scaling of alignment for mechanically stretched polymer gels by varying the angle of the director of alignment relative to the static magnetic field, which we call variable angle NMR spectroscopy (VA-NMR). The technique is closely related to variable angle sample spinning NMR spectroscopy (VASS-NMR) of liquid crystalline samples, but due to the mechanical fixation of the director of alignment no sample spinning is necessary. Also, in contrast to VASS-NMR, VA-NMR works for the full range of sample inclinations between 0° and 90°. Isotropic spectra are obtained at the magic angle. As a demonstration of the approach we measure 13C-RCSA values for strychnine in a stretched PDMS/CDCl? gel and show their usefulness for assignment purposes. In this context special care has been taken with respect to the exact calibration of chemical shift data, for which three approaches have been derived and tested. 相似文献
38.
Model based prediction of the trap limited diffusion of hydrogen in post‐hydrogenated amorphous silicon 下载免费PDF全文
Sebastian Gerke Hans‐Werner Becker Detlef Rogalla Reinhart Job Barbara Terheiden 《固体物理学:研究快报》2016,10(11):828-832
The diffusion of hydrogen within an hydrogenated amorphous silicon (a‐Si:H) layer is based on a trap limited process. Therefore, the diffusion becomes a self‐limiting process with a decreasing diffusion velocity for increasing hydrogen content. In consequence, there is a strong demand for accurate experimental determination of the hydrogen distribution. Nuclear resonant reaction analysis (NRRA) offers the possibility of a non‐destructive measurement of the hydrogen distribution in condensed matter like a‐Si:H thin films. However, the availability of a particle accelerator for NRR‐analysis is limited and the related costs are high. In comparison, Fourier transform infrared spectroscopy (FTIR) is also a common method to determine the total hydrogen content of an a‐Si:H layer. FTIR spectrometers are practical table‐top units but lack spatial resolution. In this study, an approach is discussed that greatly reduces the need for complex and expensive NRR‐analysis. A model based prediction of hydrogen depth profiles based on a single NRRA measurement and further FTIR measurements enables to investigate the trap limited hydrogen diffusion within a‐Si:H. The model is validated by hydrogen diffusion experiments during the post‐hydrogenation of hydrogen‐free sputtered a‐Si. The model based prediction of hydrogen depth profiles in a‐Si:H allows more precise design of experiments, prevents misinterpretations, avoids unnecessary NRRA measurements and thus saves time and expense. (© 2016 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim) 相似文献
39.
Cynthia V. Pagba Stephen M. Lane Sebastian Wachsmann‐Hogiu 《Journal of Raman spectroscopy : JRS》2010,41(3):241-247
Aptamers are single‐stranded oligonucleotides that selectively bind to their target molecules owing to their ability to form secondary structures and shapes. The 15‐mer (5′‐GGTTGGTGTGGTTGG‐3′) DNA thrombin‐binding aptamer (TBA) binds to thrombin following the formation of a quadruplex structure via the Hoogsten‐type G–G interactions. In the present study, Raman and SERS spectra of TBA and thiolated TBA (used to facilitate covalent bonding to metal nanoparticle) in different conditions are investigated. The spectra of the two analogs exhibit vibrations, such as the C8N7 H2 deformation band at ∼1480 cm−1 of the guanine tetrad, that are characteristic of the quadruplex structure in the presence of K+ ions or at low temperature. Interestingly, SERS spectra of the two analogs differ markedly from their respective normal Raman spectra, possibly due to changes in the conformation of the aptamer upon binding, as well as to the specific interaction of individual vibrational modes with the metal surface. In addition, the SERS spectra of the thiolated aptamer show significant changes with different concentrations, which may be due to different orientation of the molecule with respect to the metal surface. This study provides useful information for the development of label‐free aptamer‐based SERS sensors and assays. Copyright © 2009 John Wiley & Sons, Ltd. 相似文献
40.
We discuss the concept of coarse wavelength-division multiplexing (CWDM) for metro networks. After reviewing the requirements on components such as lasers and fiber, we propose different architectures for a flexible upgrade of existing CWDM systems. 相似文献