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Shining light on growth-dependent surface chemistry of organic crystals: a polarised Raman spectroscopic and computational study of aspirin
摘要： Understanding and controlling crystal surfaces is a critical problem in contemporary materials science. Organic crystal surfaces present the additional complexity of multiple terminations with different functional groups. These alternate terminations influence the surface chemistry and exert control on many material properties. While established tools for surface characterization exist, few provide the chemical information required to unambiguously identify functional groups. Polarized Raman spectroscopy is a versatile tool that can provide detailed chemical information on molecular materials, and, when used in a microscope configuration, can be used to map substrates on a micron scale. In this work, we demonstrate the use of polarized Raman to study the surface chemistry of aspirin. By analyzing crystals grown under a variety of conditions, we relate the growth solvent to the surface termination and reconcile the conflicting results in the literature on the nature of the <100> surface. Our results are supported by detailed first-principles modelling of the surfaces and their vibrational spectra. This study establishes the potential of polarized Raman microscopy as a tool for organic surface science that, when combined with predictive modelling, provides a powerful means to understand and ultimately control surface chemistry.
关键词： aspirin,first-principles modelling,crystal growth,polarized Raman spectroscopy,surface termination,lattice dynamics
更新于2025-09-23 15:23:52
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Spectrally Resolved Ultrafast Exciton Transfer in Mixed Perovskite Quantum Wells
摘要： Solution-processed perovskite quantum wells have been used to fabricate increasingly efficient and stable optoelectronic devices. Little is known about the dynamics of photogenerated excitons in perovskite quantum wells within the first few hundred femtoseconds – a crucial timescale on which energy and charge transfer processes may compete. Here we use ultrafast transient absorption and two-dimensional electronic spectroscopy to clarify the movement of excitons and charges in reduced-dimensional perovskite solids. We report excitonic funneling from strongly to weakly confined perovskite quantum wells within 150 fs, facilitated by strong spectral overlap and orientational alignment among neighboring wells. This energy transfer happens on timescales orders of magnitude faster than charge transfer, which we find to occur instead over 10 - 100s of picoseconds. Simulations of both F?rster-type interwell exciton transfer and free carrier charge transfer are in agreement with these experimental findings, with theoretical exciton transfer calculated to occur in 100s of fs.
关键词： energy transfer,Carrier,metal halide perovskite,two-dimensional electronic spectroscopy,layered perovskite,dynamics
更新于2025-09-23 15:23:52
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Analysis of Nonlinear Dynamics of a Quadratic Boost Converter Used for Maximum Power Point Tracking in a Grid-Interlinked PV System
摘要： In this paper, the nonlinear dynamics of a PV-fed high-voltage-gain single-switch quadratic boost converter loaded by a grid-interlinked DC-AC inverter is explored in its parameter space. The control of the input port of the converter is designed using a resistive control approach ensuring stability at the slow time-scale. However, time-domain simulations, performed on a full-order circuit-level switched model implemented in PSIM c software, show that at relatively high irradiance levels, the system may exhibit undesired subharmonic instabilities at the fast time-scale. A model of the system is derived, and a closed-form expression is used for locating the subharmonic instability boundary in terms of parameters of different nature. The theoretical results are in remarkable agreement with the numerical simulations and experimental measurements using a laboratory prototype. The modeling method proposed and the results obtained can help in guiding the design of power conditioning converters for solar PV systems, as well as other similar structures for energy conversion systems.
关键词： subharmonic oscillations,DC-DC converters,maximum power point tracking (MPPT),nonlinear dynamics,photovoltaic (PV),quadratic boost
更新于2025-09-23 15:23:52
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Ultrathin GeSe Nanosheets: from Systematic Synthesis, to Studies of Carrier Dynamics and Applications for High Performance UV-Vis Photo-Detector
摘要： Owing to the attractive energy band properties, black phosphorus (BP)-analogue semiconductor, germanium selenide (GeSe), shows a promising potential applied for optoelectronic devices. Herein, ultrathin GeSe nanosheets were systematically prepared via a facile liquid phase exfoliation (LPE) approach, with controllable nano-scale thickness. Different from BP, ultrathin GeSe nanosheets exhibits a good stability under both liquid and ambient conditions. Besides, its ultrafast carrier dynamics was probed by transient absorption spectroscopy. We showed that the GeSe nanosheets-based photo-detector exhibits excellent photoresponse behaviors ranging from ultraviolet (UV) to the visible regime, with high responsivity and low dark current. Furthermore, the detective ability of such a device can be effectively modulated by varying the applied bias potential, light intensity and concentration of electrolyte. Generally, our present contribution could not only supply fundamental knowledge of GeSe nanosheets-based photoelectrochemical (PEC)-type device, but also offer a guidance to extend other possible semiconductor materials in the application of PEC-type photo-detector.
关键词： photoelectrochemical,photo-detector,liquid phase exfoliation,carrier dynamics,GeSe nanosheets
更新于2025-09-23 15:23:52
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Understanding Spatiotemporal Photocarrier Dynamics in Monolayer and Bulk MoTe <sub/>2</sub> for Optimized Optoelectronic Devices
摘要： Semiconducting molybdenum ditelluride has emerged as a promising transition-metal dichalcogenide with a number of novel properties. In particular, its bandgap in infrared range makes it an attractive candidate for ultrathin and high-performance infrared optoelectronic applications. Dynamical properties of photocarriers play a key role in determining performance of such devices. We report an experimental study on spatiotemporal dynamics of photocarriers in both monolayer and bulk MoTe2. Transient absorption measurement in reflection geometry revealed ultrafast thermalization and relaxation processes of photocarriers and lifetimes of about 60 and 80 ps in monolayer and bulk MoTe2, respectively. By spatially resolved transient absorption measurements on monolayer, we obtained an exciton diffusion coefficient of 20 ± 10 cm2 s?1, a mean free time of 200 fs, a mean free path of 20 nm, and a diffusion length of 350 nm. The corresponding values for the bulk sample are 40 ± 10 cm2 s?1, 400 fs, 40 nm, and 570 nm, respectively. These results provide fundamental information for understanding and optimizing performance of MoTe2-based optoelectronic devices.
关键词： two-dimensional material,exciton,transient absorption,molybdenum ditelluride,transition-metal dichalcogenide,diffusion,photocarrier dynamics
更新于2025-09-23 15:23:52
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High-Performance Chromatographic Characterization of Surface Chemical Heterogeneities of Fluorescent Organic–Inorganic Hybrid Core–Shell Silica Nanoparticles
摘要： In contrast to small-molar-mass compounds, detailed structural investigations of inorganic core–organic ligand shell hybrid nanoparticles remain challenging. The assessment of batch-reaction-induced heterogeneities of surface chemical properties and their correlation with particle size has been a particularly long-standing issue. Applying a combination of high-performance liquid chromatography (HPLC) and gel permeation chromatography (GPC) to ultra-small (<10 nm diameter) poly(ethylene glycol)-coated (PEGylated) fluorescent core–shell silica nanoparticles, we elucidate here previously unknown surface heterogeneities resulting from varying dye conjugation to nanoparticle silica cores and surfaces. Heterogeneities are predominantly governed by dye charge, as corroborated by molecular dynamics simulations. We demonstrate that this insight enables the development of synthesis protocols to achieve PEGylated and targeting ligand-functionalized PEGylated silica nanoparticles with dramatically improved surface chemical homogeneity, as evidenced by single-peak HPLC chromatograms. Because surface chemical properties are key to all nanoparticle interactions, we expect these methods and fundamental insights to become relevant to a number of systems for applications, including bioimaging and nanomedicine.
关键词： surface chemistry heterogeneity,high-performance liquid chromatography,nanoparticle characterization,nanoparticle surface functionalization,fluorescence correlation spectroscopy,molecular dynamics,nanoparticle heterogeneity
更新于2025-09-23 15:23:52
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Experimental study on slippery droplet dynamics using optical correction method
摘要： When a droplet is placed on an inclined plane, it can slide down the plane by gravitational force. This phenomenon can occur in many industrial applications such as surface coating and printing, as well as in evaluating the characteristics of a surface. The slippery droplet can be analyzed from the balance between the gravitational force and the sum of the capillary and resistance forces. Researchers have suggested various equations of force balance with several hypotheses. To increase the reliability of the force balance correlation, it is important to obtain an accurate inside velocity profile and the three-dimensional (3D) shape of a droplet. In this paper, an analysis system of the slippery droplet was developed which includes optical correction based on a ray tracing method for velocity field measurement and an ellipse fitting method for droplet shape reconstruction. These correction methods were verified by a numerical simulation and applied to a slippery droplet on an inclined plate coated with Poly methyl methacrylate (PMMA). The wall shear force calculated from the velocity field and that calculated from the force balance were in good agreement.
关键词： Optical correction,Droplet dynamics,Droplet slippery,Flow visualization
更新于2025-09-23 15:23:52
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A multi-method approach to radial-velocity measurement for single-object spectra
摘要： Context. The derivation of radial velocities from large numbers of spectra that typically result from survey work, requires automation. However, except for the classical cases of slowly rotating late-type spectra, existing methods of measuring Doppler shifts require fine-tuning to avoid a loss of accuracy due to the idiosyncrasies of individual spectra. The radial velocity spectrometer (RVS) on the Gaia mission, which will start operating very soon, prompted a new attempt at creating a measurement pipeline to handle a wide variety of spectral types. Aims. The present paper describes the theoretical background on which this software is based. However, apart from the assumption that only synthetic templates are used, we do not rely on any of the characteristics of this instrument, so our results should be relevant for most telescope-detector combinations. Methods. We propose an approach based on the simultaneous use of several alternative measurement methods, each having its own merits and drawbacks, and conveying the spectral information in a different way, leading to different values for the measurement. A comparison or a combination of the various results either leads to a 'best estimate' or indicates to the user that the observed spectrum is problematic and should be analysed manually. Results. We selected three methods and analysed the relationships and differences between them from a unified point of view; with each method an appropriate estimator for the individual random error is chosen. We also develop a procedure for tackling the problem of template mismatch in a systematic way. Furthermore, we propose several tests for studying and comparing the performance of the various methods as a function of the atmospheric parameters of the observed objects. Finally, we describe a procedure for obtaining a knowledge-based combination of the various Doppler-shift measurements.
关键词： techniques: radial velocities,surveys,stars: kinematics and dynamics,methods: data analysis,techniques: spectroscopic
更新于2025-09-23 15:23:52
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Simultaneous mapping of single bubble dynamics and heat transfer rates for SiO <sub/>2</sub> /water nanofluids under nucleate pool boiling regime
摘要： Dependence of single vapor bubble dynamics and heat transfer rates on varying concentration of SiO2 nanoparticles for a range of subcooled conditions (0–9 ?C) has been experimentally studied under nucleate pool boiling configuration. Non-invasive measurements have been carried out using rainbow schlieren deflectometry. Results on bubble dynamics showed that the bubble diameter and aspect ratio decrease with increasing subcooling levels as well as concentration of nanofluids. The frequency of bubble oscillations was found to increase first and then decrease with increasing subcooling levels while it decreases monotonically with increasing nanofluid concentration. Bubble departure frequency increased significantly for nanofluids, while it decreased with increasing subcooling levels. Condensation effects at the bubble interface were reflected in the form of redistribution of colors around it. Schlieren images clearly revealed a spread in the spatial extent of the thermal boundary layer region caused by the suspended nanoparticles around the vapor bubble as well as near the heated substrate. This phenomenon has been considered as one of the factors that tends to alter the condensation effects and, in turn, affects the bubble dynamics. Quantitative analysis of schlieren images revealed that the natural convective heat flux increases with increasing subcooling levels, while it decreases with increasing nanoparticle concentration. Deterioration in the natural convection phenomenon in the presence of suspended nanoparticles has been attributed to the reduced strength of thermal gradients adjacent to the heater substrate. On the other hand, evaporative heat flux was observed to decrease with increasing subcooling levels and increase with increasing concentration of nanofluids.
关键词： nucleate pool boiling,bubble dynamics,schlieren deflectometry,subcooling,heat transfer,nanofluids
更新于2025-09-23 15:23:52
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Ultrafast electron-lattice thermalization in copper and other noble metal nanoparticles
摘要： Using time-resolved ultrafast pump-probe spectroscopy we investigated the electron-lattice energy transfer in small copper nanospheres with diameters ranging from 3.2 to 23 nm, either embedded in a glass or dispersed in a solvent. Electron-lattice scattering rate is shown to increase with size reduction, in agreement with our previous results obtained on gold and silver nanoparticles in the low excitation regime. We attribute this effect to the reduction of the screening efficiency of electron–phonon interactions close to the nanoparticle surface. To understand the discrepancy between the results on the electron-lattice scattering in different metals reported in the literature (reduction, no dependence or increase with nanoparticle size), we discuss the experimental conditions required for the accurate determination of electron-lattice energy transfer time from time-resolved investigations in the weak and strong excitation regimes and present power-dependent experiments on gold nanospheres in solution. Our findings are derived from a theoretical analysis based on the two-temperature model predictions and on a complete modeling of the nanoparticle transient extinction cross-section through the resolution of Boltzmann equation in the presence of hot electrons.
关键词： pump-probe spectroscopy,copper nanoparticles,electron-lattice interactions,two-temperature model,ultrafast electron dynamics
更新于2025-09-23 15:23:52