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Quantitative determination of a model organic/insulator/metal interface structure
摘要： By combining X-ray photoelectron spectroscopy, X-ray standing waves and scanning tunneling microscopy, we investigate the geometric and electronic structure of a prototypical organic/insulator/metal interface, namely cobalt porphine on monolayer hexagonal boron nitride (h-BN) on Cu(111). Specifically, we determine the adsorption height of the organic molecule and show that the original planar molecular conformation is preserved in contrast to the adsorption on Cu(111). In addition, we highlight the electronic decoupling provided by the h-BN spacer layer and find that the h-BN–metal separation is not significantly modified by the molecular adsorption. Finally, we find indication of a temperature dependence of the adsorption height, which might be a signature of strongly-anisotropic thermal vibrations of the weakly bonded molecules.
关键词： hexagonal boron nitride,X-ray standing waves,X-ray photoelectron spectroscopy,cobalt porphine,Cu(111),scanning tunneling microscopy,organic/insulator/metal interface
更新于2025-09-04 15:30:14
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Laue lens for astrophysics: Extensive comparison between mosaic, curved, and quasi-mosaic crystals
摘要： With the aim of concentrating hard X- and γ-rays coming from celestial sources in the 100–1000 keV energy range, the concept of Laue lens was introduced more than 50 years ago. Crystals are the core of a Laue lens, since they focus the incoming X-rays through Bragg di?raction. For concrete applications, crystals characterized by high di?raction re?ectivity are needed along with high-resolution focusing of di?racted photons. Here, an extensive comparison of the types of crystals proposed so far is presented. In order to quantify the focusing capability of a Laue lens based on these crystals, a simulation of a single-ring Laue lens based on the considered optical elements is presented. Finally, the breakthrough in the panorama of di?racting crystals is discussed.
关键词： techniques: high angular resolution – telescopes – techniques: imaging spectroscopy
更新于2025-09-04 15:30:14
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Image restoration of solar spectra
摘要： Context. When recording spectra from the ground, atmospheric turbulence causes degradation of the spatial resolution. Aims. We present a data reduction method that restores the spatial resolution of the spectra to their undegraded state. Methods. By assuming that the point spread function (PSF) estimated from a strictly synchronized, broadband slit-jaw camera is the same as the PSF that spatially degraded the spectra, we can quantify what linear combination of undegraded spectra is present in each degraded data point. Results. The set of equations obtained in this way is found to be generally well-conditioned and sufficiently diagonal to be solved using an iterative linear solver. The resulting solution has regained a spatial resolution comparable to that of the restored slit-jaw images. Conclusions. We have developed a new image restoration method for the restoration of ground-based spectral data over a large field of view. The method builds on the PSF information recovered by the MOMFBD code and typically reaches a spatial resolution comparable to that of the broadband slit-jaw images used to recover the PSF.
关键词： techniques: imaging spectroscopy,instrumentation: high angular resolution,techniques: spectroscopic,instrumentation: spectrographs,methods: numerical,techniques: image processing
更新于2025-09-04 15:30:14
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Structural Aspects at Phase Transitions in Ferroelectric Copolymers of Vinylidenefluoride and Tetrafluoroethylene
摘要： low-voltage Permittivity and conductivity temperature dependences of a ferroelectric copolymer of vinylidenefluoride VDF with tetrafluoroethylene TFE in the ferroelectric to paraelectric phase transition range were investigated. The as received films obtained by crystallization from a solution had the metastable structure shown in particular in coexistence of ferroelectric and paraelectric phases below a Curie point. Temperature dependences of electrical characteristics in the first and second cycles of heating differ. Low glass transition (?40 oC) facilitate intensive micro-Brownian chains mobility in the amorphous phase at ambient temperatures and above. As per the x-ray and spectroscopic data, the first heating cycle will result in a recrystallization process for molecular structure improvement. Asymmetry of temperature dependence of a dielectric susceptibility in a vicinity of “order-disorder” phase change is found out. For the first time paid attention to the fact that for crystalline polymer ferroelectrics interpretation of the parameters of the temperature dependences of the dielectric susceptibility in the cycle of heating near the phase transition point should take into account the possibility of the premelt processes. First the method of IR spectroscopy shows that the melting of ordered structures, emerging secondary crystallization is accompanied by a change of the basic parameters (frequency position, the integral intensity and half-width) component of the doublet of valence vibrations of С-Н groups. Such structural changes lead to the emergence of “anomalies” on the temperature dependences of conductivity.
关键词： conductivity,IR-spectroscopy,phase transitions,Ferroelectric polymers,structure
更新于2025-09-04 15:30:14
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Active Thermal Control of 5 nm Gap Terahertz Antennas
摘要： Metallic nanostructures are combined with various active materials for electrical, optical, and thermal modulations of their optical properties. In particular, for the thermal modulation, deformation of metallic nanostructures at high temperatures limits the applications to relatively low temperatures, where thermal expansion of metals is negligible. Here, a unique regime is reported where terahertz (THz) waves transmitting through 5 nm wide slot antennas can be significantly modulated via controlled thermal expansion of metals without active materials. The normalized amplitude is modulated by 20% and the resonant frequency by 22% at an elevated temperature of 150 °C, indicating a decrease in the gap width by 50%. The extreme width-to-length ratio of the THz slot antennas compensates the small thermal expansion coefficient of metals, enabling the gap width to be considerably changed. COMSOL simulation and coupled-mode method (CMM) calculation quantitatively support the experimental data. This works suggests a new possibility of thermally active metallic nanostructures.
关键词： metamaterials,active modulation,terahertz spectroscopy,nanogaps,thermal expansion
更新于2025-09-04 15:30:14
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Compact Aberration‐Corrected Spectrometers in the Visible Using Dispersion‐Tailored Metasurfaces
摘要： The spectral resolution and range of conventional spectrometers are typically limited by optical aberrations of their focusing elements, mainly due to chromatically induced astigmatism and an intrinsically curved focal plane. Traditional approaches to overcome this challenge require additional optical components which introduce significant bulk and design complexity to the system and prevent easy integration with portable devices. Here a single planar off-axis focusing metalens consisting of subwavelength TiO2 nanofins whose focal spots lie along a plane and undergo minimal focal spot broadening for almost 200 nm across the visible spectrum is demonstrated. This allows us to achieve a miniature aberration-corrected spectrometer with nanometer spectral resolution, while having a beam propagation distance of only 4 cm to the camera plane. This is achieved by dispersion engineering: tailoring the phase, group delay (GD) and GD dispersion of the metalens. This approach is general and can also be used to introduce customized functionalities to the metalens such as a linear dispersion in the frequency domain with minimal additional overhead.
关键词： off-axis lens,spectroscopy,metasurfaces,aberration corrected
更新于2025-09-04 15:30:14
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Aurophilicity and Photoluminescence of (6-Diphenylpnictogenoacenaphth-5-yl)gold Compounds
摘要： The organotin precursors 6-Br-Ace-5-SnBu3 (6, Ace = acenaphthyl) and 6-Ph2E-Ace-5-SnBu3 (7a: E = P; 7b: E = As; 7c: E = Sb) were prepared and used for the synthesis of organogold complexes, namely, the homodinuclear arylgold(I) species (6-Ph2E-Ace-5-Au)2 (8a: E = P; 8b: E = As; 8c: E = Sb), arylgold(III) dichloride 6-Ph2P-Ace-5-AuCl2 (9), diarylgold(III) chloride [trans-(6-Ph2P-Ace-5-)2Au]Cl ([10]Cl) as well as the heterodinuclear gold complexes 6-Ph2P(AuX)-Ace-5-Au(AsPh3) (11a: X = Cl; 11b: X = Br). Compounds 8a - 8c, 11a, and 11b show significant aurophilic interactions, which are related to their photoluminescence upon exposure to UV light. In the solid state, 11a and 11b show green-yellow emission, whereas 8a - 8c are non-emissive. In solution under an argon atmosphere, all five compounds 8a - 8c as well as 11a and 11b show green-yellow emission. The organogold complexes were characterized by multinuclear NMR spectroscopy, photoluminescence spectroscopy, single-crystal X-ray crystallography as well as (TD-)DFT calculations including real-space bond indicators derived from atoms-in-molecules (AIM), the electron localization indicator (ELI-D), and the non-covalent interaction (NCI) index.
关键词： DFT calculations,aurophilicity,photoluminescence,X-ray crystallography,NMR spectroscopy,organogold complexes
更新于2025-09-04 15:30:14
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Hybridization of an unoccupied molecular orbital with an image potential state at a lead phthalocyanine/graphite interface
摘要： The interaction of a molecular orbital with a surface state is important to understand the spatial distribution of the wave function at the molecule/substrate interface. In this study, we focus on hybridization of an unoccupied state of lead phthalocyanine (PbPc) with the image potential state (IPS) on a graphite surface. The hybridization modifies the energy-momentum dispersions of the IPS on PbPc films as observed by angle-resolved two-photon photoemission. On the PbPc 1 monolayer film, the IPS band forms a band gap and back-folding appears at the first Brillouin zone boundary due to the periodic potential by the adsorbate lattice. The modification of the dispersion is accompanied by the intensity enhancement of the IPS. We attributed the origin of the modified dispersion and intensity enhancement to a hybridization of the IPS with a molecule-derived unoccupied level. From the photon energy-dependent measurement on multilayer films, we have found the diffuse unoccupied molecular level in the vicinity of the IPS. The tail part of the IPS wave function in the substrate is enhanced by the hybridization with the unoccupied state, and thus strengthens the transition from the occupied substrate band to the hybridized IPS.
关键词： organic ultrathin films,image potential states,two-photon photoemission spectroscopy,unoccupied states,hybridization
更新于2025-09-04 15:30:14
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<i>In situ </i>soft x-ray absorption spectroscopic study of polycrystalline Fe/MgO interfaces
摘要： In situ soft x-ray absorption spectroscopic study of polycrystalline Fe/MgO interfaces. It is found that at the interface of iron and MgO film, about two monolayers of Fe3O4 is formed. Fe3O4 being the oxide of iron with the highest heat of formation, the reaction appears to be controlled thermodynamically. On the other hand, on the interface with MgO (001) surface, FeO is formed, suggesting that the reaction is limited by the availability of oxygen atoms. Magnetic behavior of the FeO layer gets modified significantly due to proximity effect of the bulk ferromagnetic iron layer.
关键词： FeO,soft x-ray absorption spectroscopy,Fe/MgO interfaces,Fe3O4,magnetic behavior
更新于2025-09-04 15:30:14
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Spectral interval optimization on rapid determination of prohibited addition in pesticide by ATR‐FTIR
摘要： BACKGROUND: Acetamiprid, as a low toxicity pesticide, had already been extensively used to increase plant production and quality. Although fipronil had been prohibited, it was usually illicitly added to acetamiprid due to its particular insecticidal action and effect, so it was highly desirable to obtain a rapid and effective method to detect its concentration. Mid-Infrared spectroscopy (MIR) technique combined with two variable selection methods, interval combination optimization (ICO) and interval partial least squares (iPLS), were used to determinate the prohibited addition of fipronil. RESULTS: The full spectra for both ICO and iPLS were divided into forty equal-width intervals. Consequently, 45 and 135 characteristic variables were extracted from ICO and iPLS to establish the models. Compared with iPLS, the ICO model acquired a more suitable spectral region and as a result gained a higher prediction accuracy. Specifically, ICO method selected the characteristic wavelengths ascribed to C-F and C-N (in five-membered heterocyclics), iPLS chose the intervals associated with C-F and S=O. CONCLUSION: Results revealed that MIR combined with ICO could be efficiently used for rapid identification of illegal addition and had a great potential to provide on-site pesticide quality control.
关键词： pesticide,partial least squares,interval combination optimization,Mid-infrared spectroscopy,interval partial least squares
更新于2025-09-04 15:30:14