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Félidj N Truong SL Aubard J Lévi G Krenn JR Hohenau A Leitner A Aussenegg FR 《The Journal of chemical physics》2004,120(15):7141-7146
Lithographically designed two-dimensional arrays consisting of gold nanoparticles deposited on a smooth gold film are used as substrate to examine the SERS effect of the trans-1,2-bis (4-pyridyl) ethylene molecule. These arrays display two plasmon bands instead of the single one observed for the same arrays of particles but deposited on indium tin oxide coated glass. Laser excitation within the short wavelength band does not bring about any SERS spectrum, while excitation within the long wavelength band yields SERS spectra with a gain per molecule rising up to 10(8). The simultaneous investigation of extinction and Raman spectra of arrays exhibiting various topography parameters enables us to suggest an interpretation for both the occurrence of the two plasmon resonances and for the high Raman enhancement. We suggest to assign the short wavelength band to a plasmon wave propagating at the gold glass interface and the long wavelength one to an air/gold surface plasmon mode modified by particle-particle interaction. 相似文献
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AkshatKumar Nigam Robert Pollice Mario Krenn Gabriel dos Passos Gomes Aln Aspuru-Guzik 《Chemical science》2021,12(20):7079
Inverse design allows the generation of molecules with desirable physical quantities using property optimization. Deep generative models have recently been applied to tackle inverse design, as they possess the ability to optimize molecular properties directly through structure modification using gradients. While the ability to carry out direct property optimizations is promising, the use of generative deep learning models to solve practical problems requires large amounts of data and is very time-consuming. In this work, we propose STONED – a simple and efficient algorithm to perform interpolation and exploration in the chemical space, comparable to deep generative models. STONED bypasses the need for large amounts of data and training times by using string modifications in the SELFIES molecular representation. First, we achieve non-trivial performance on typical benchmarks for generative models without any training. Additionally, we demonstrate applications in high-throughput virtual screening for the design of drugs, photovoltaics, and the construction of chemical paths, allowing for both property and structure-based interpolation in the chemical space. Overall, we anticipate our results to be a stepping stone for developing more sophisticated inverse design models and benchmarking tools, ultimately helping generative models achieve wider adoption.Interpolation and exploration within the chemical space for inverse design. 相似文献
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We report on the fabrication of spectrally selective organic photodiodes (OPDs) and present a green sensitive OPD, whose spectral response peaks in the green region between 470 nm and 560 nm, as well as a red sensitive OPD whose spectral response peaks in the red region between 610 nm to 720 nm. We show that the spectral sensitivity of OPDs can be tuned by either choosing organic semiconductors with the appropriate photoresponse or by utilizing adequate device architectures with integrated optical filters. The results demonstrate the great flexibility of organic semiconductor materials. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
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Background
Growth hormone (GH) plays an incompletely understood role in the development of the central nervous system (CNS). In this study, we use transgenic mice expressing a growth hormone antagonist (GHA) to explore the role of GH in regulating postnatal brain, spinal cord and body growth into adulthood. The GHA transgene encodes a protein that inhibits the binding of GH to its receptor, specifically antagonizing the trophic effects of endogenous GH. 相似文献7.
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C. Krenn W. Scherf O. Khait M. Musso L. Windholz 《Zeitschrift für Physik D Atoms, Molecules and Clusters》1997,41(4):229-233
Laserspectroscopic investigations of the Stark splitting and shift behaviour of the hyerfine components of resonance lines of potassium, rubidium, europium and gallium have been performed in external electric fields up to field strengths of 400 kV/cm. For the transitions {fx229-1} we derived the scalar polarizability difference Δα 0 between upper and lower level of the transitions and the individual tensor polarizabilities α 2. 相似文献
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H. Strausky J.R. Krenn A. Leitner F.R. Aussenegg 《Applied physics. B, Lasers and optics》1998,66(5):599-602
Received: 28 July 1997/Revised version: 20 October 1997 相似文献
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It is known that the tank-circuit voltage of the rf SQUID carries information about the magnetic flux to be detected in amplitude
and phase. The coherent demodulationtechnique utilizes mixing circuits to shift the rf tank voltage spectrum to dc without
loss of any signal-information both in amplitude and phase (AM & Pm-detection). Vice versa such a combined detection can be
devided into two several detection channels, amplitude sensitive detection (AM) and phase sensitive detection (PM). The contribution
of each single mode to the combined detection AM & PM is analysed theoretically in the limit of small magnetic signals and
measured in special rf circuits of the magnetometer, which apply PLL-techniques. The influence of feedback is also calculated.
For refined studies of the interesting parameters the reference signal of the rf mixer allows to be phase-shifted by an arbitrary
amount. All three modes of detections are sketched in diagrams as magnetometeroutput versus phase-shift of that reference
signal. In addition, noise analysis is included and measured for vanishing signal. Basic formulas are derived for signal-to-noise
ratios. A correlation coefficient is defined for recording correlated noise sources between AM and PM, whereby the possibility
of S/N-improvement is pointed out. By computer support the graphs of equations are fitted to measured data with least mean-square
deviation. More logical than functional circuit diagrams complete the insight into the treated basic ideas. 相似文献