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Synthesis and characterization of Er3+/Cu+-codoped fluorophosphate glasses
摘要： NaPO3-ZnF2 binary fluorophosphate glasses doped with trivalent erbium and monovalent copper were synthesized by the conventional melting and casting method using ErF3 and CuCl as starting materials. The samples were systematically investigated using X-ray diffraction (XRD), energy dispersive X-ray spectroscopy (EDS), Fourier-transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM) and transmission electron microscopy (TEM) analysis. X-ray powder diffraction patterns confirmed that the as-prepared compounds were all amorphous. The glass transition temperature (Tg) was observed around 230°C by DSC analysis, while the thermal stability range (?T) was estimated to be between 90 and 140 °C. The measured value of the refractive index (n) was measured as 1.502 at a wavelength of 632.8 nm. Thermal annealing of the samples was performed at different temperatures above Tg for various heat-treatment times. During these steps, monovalent copper and sodium ions were expected to be reduced, forming metallic nanoparticles. This transformation lead to coloration changes, depending on the annealing time and temperature, with respect to the transparency of the glasses. These spectroscopic changes are related to the plasmonic effects induced by the presence of both Cu and Na metallic nanoparticles, which promote red shift due to absorption. The VIS-NIR absorption spectra of the prepared glasses were investigated in the frame work of standard Judd-Ofelt (J-O) theory, which was used to determine the J-O intensity parameters, radiative transition probabilities and branching ratios for Er3+ ions embedded in the glasses. The calculated intensity parameters (Ω2,4,6) were compared to those obtained for Er3+ in several other glasses.
关键词： Nanoparticles,Fluorophosphate glasses,Absorption,Judd-Ofelt theory,Optics
更新于2025-10-22 19:40:53
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A reaction-based turn-on fluorescent sensor for the detection of Cu (II) with excellent sensitivity and selectivity: Synthesis, DFT calculations, kinetics and application in real water samples
摘要： A reaction-based turn-on fluorescent chemosensor RhB-Cu, starting from rhodamine B (RhB), for Cu2+ was easily synthesized in two steps. The sensor could selectively detect Cu2+ with a 100-fold fluorescence enhancement among the common metal ions, exhibiting an extremely low detection limit of 4.7 nM. To the best of our knowledge, this was the best record for the detection of Cu2+ with organic fluorescent sensors. There was a 1:1 binding stoichiometry between RhB-Cu and Cu2+ with an association constant of 6.42 × 104 M-1. Noteworthy, it could distinguish Cu2+ from Cu+, which was hard to realize in the previous studies. In addition, the detection mechanism was proposed based on mass spectrometric analysis and density functional theory (DFT) calculations. Kinetic studies were conducted to obtain the activation energy, enthalpy and entropy, so as to elucidate the solvent effect. Interestingly, the kinetic compensation effect (KCE) was uncovered in this work. Finally, RhB-Cu was proved to have the capability to work in real water samples. It would highly contribute to the even better design of fluorescent sensor for Cu2+ in future.
关键词： fluorescent sensor,solvent effect,kinetic compensation effect (KCE),copper,density functional theory (DFT),PET mechanism
更新于2025-10-22 19:38:57
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Edge-dependent reflection and inherited fine structure of higher-order plasmons in graphene nanoribbons
摘要： We investigate higher-order plasmons in graphene nanoribbons, and we present how electronic edge states and wave-function fine structure influence the graphene plasmons. Based on nearest-neighbor tight-binding calculations, we find that a standing-wave model based on nonlocal bulk plasmon dispersion is surprisingly accurate for armchair ribbons of widths even down to a few nanometers, and we determine the corresponding phase shift upon edge reflection and an effective ribbon width. Wider zigzag ribbons exhibit a similar phase shift, whereas the standing-wave model describes few-nanometer zigzag ribbons less satisfactorily, to a large extent because of their edge states. We directly confirm that also the larger broadening of plasmons for zigzag ribbons is due to their edge states. Furthermore, we report a prominent fine structure in the induced charges of the ribbon plasmons, which for armchair ribbons follows the electronic wave-function oscillations induced by intervalley coupling. Interestingly, the wave-function fine structure is also found in our analogous density-functional theory calculations, and both these and tight-binding numerical calculations are explained quite well with analytical Dirac theory for graphene ribbons.
关键词： plasmons,edge states,tight-binding,density-functional theory,Dirac theory,graphene nanoribbons
更新于2025-09-23 15:23:52
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Wave Propagation of Porous Nanoshells
摘要： This study aims at investigating the wave propagation of porous nanoshells. The Bi-Helmholtz non-local strain gradient theory is employed in conjunction with a higher-order shear deformation shell theory, in order to include the size-dependent effects. The nanoshells are made of a porous functionally graded material (P-FGM), whose properties vary continuously along the thickness direction. A variational approach is here applied to handle the governing equations of the problem, which are solved analytically to compute the wave frequencies and phase velocities as function of the wave numbers. The sensitivity of the wave response is analyzed for a varying porosity volume fraction, material properties, non-local parameters, strain gradient length scales, temperature, humidity, and wave numbers. Based on the results, it is verified that the size-dependence of the response is almost the same to the one of plates, beams and tubes.
关键词： doubly-curved nanoshell,wave propagation,higher-order shear deformation shell theory,porous materials,generalized non-local strain gradient theory
更新于2025-09-23 15:23:52
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A Reciprocal Formulation of Nonexponential Radiative Transfer. 1: Sketch and Motivation
摘要： Previous proposals to permit nonexponential free-path statistics in radiative transfer have not included support for volume and boundary sources that are spatially uncorrelated from the scattering events in the medium. Birth-collision free paths are treated identically to collision–collision free paths and application of this to general, bounded scenes with inclusions leads to nonreciprocal transport. Beginning with reciprocity as a desired property, we propose a new way to integrate nonexponential transport theory into general scenes. We distinguish between the free-path-length statistics between correlated medium particles and the free-path-length statistics beginning locations not correlated to medium particles, such as at boundary surfaces, inclusions, and uncorrelated sources. Reciprocity requires that the uncorrelated free-path distributions are simply the normalized transmittance of the correlated free-path distributions. The combination leads to an equilibrium imbedding of a previously derived generalized transport equation into bounded domains. We compare predictions of this approach to Monte Carlo simulation of multiple scattering from negatively correlated suspensions of monodispersive hard spheres in bounded two-dimensional domains and demonstrate improved performance relative to previous work. We also derive new, exact, reciprocal, single-scattering solutions for plane-parallel half-spaces over a variety of nonexponential media types.
关键词： Linear transport theory,generalized linear Boltzmann equation,reciprocity,kinetic theory,stochastic media
更新于2025-09-23 15:23:52
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Scatter Enhanced Phase Contrast Microscopy for Discriminating Mechanisms of Active Nanoparticle Transport in Living Cells
摘要： Understanding the uptake and transport dynamics of engineered nanomaterials (ENMs) by mammalian cells is an important step in designing next-generation drug delivery systems. However, to track these materials and their cellular interactions, current studies often depend on surface-bound fluorescent labels which have the potential to alter native cellular recognition events. As a result, there is still a need to develop methods capable of monitoring ENM-cell interactions independent of surface modification. Addressing these concerns, here we show how Scatter Enhanced Phase Contrast (SEPC) microscopy can be extended to work as a generalized label-free approach for monitoring nanoparticle uptake and transport dynamics. To determine which materials can be studied using SEPC, we turn to Lorenz-Mie theory, predicting that individual particles down to ~35 nm can be observed. We confirm this experimentally, demonstrating that SEPC works for a variety of metal and metal oxides, including: Au, Ag, TiO2, CeO2, Al2O3, and Fe2O3 nanoparticles. We then demonstrate that SEPC microscopy can be used in a quantitative, time-dependent fashion to discriminate between distinct modes of active cellular transport, including intracellular transport and membrane assisted transport. Finally, we combine this technique with microcontact printing to normalize transport dynamics across multiple cells, allowing for a careful study of ensemble TiO2 nanoparticle uptake. This revealed three distinct regions of particle transport across the cell, indicating that membrane dynamics play an important role in regulating particle flow. By avoiding fluorescent labels, SEPC allows for a rational exploration of the surface properties of nanomaterials in their native state and their role in endocytosis and cellular transport.
关键词： Scatter Enhanced Phase Contrast,Lorenz-Mie Theory,Endocytosis,Nano-Bio Interface,Nanoparticle
更新于2025-09-23 15:23:52
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An Interplay between Photons, Canopy Structure, and Recollision Probability: A Review of the Spectral Invariants Theory of 3D Canopy Radiative Transfer Processes
摘要： Earth observations collected by remote sensors provide unique information to our ever-growing knowledge of the terrestrial biosphere. Yet, retrieving information from remote sensing data requires sophisticated processing and demands a better understanding of the underlying physics. This paper reviews research efforts that lead to the developments of the stochastic radiative transfer equation (RTE) and the spectral invariants theory. The former simplifies the characteristics of canopy structures with a pair-correlation function so that the 3D information can be succinctly packed into a 1D equation. The latter indicates that the interactions between photons and canopy elements converge to certain invariant patterns quantifiable by a few wavelength independent parameters, which satisfy the law of energy conservation. By revealing the connections between plant structural characteristics and photon recollision probability, these developments significantly advance our understanding of the transportation of radiation within vegetation canopies. They enable a novel physically-based algorithm to simulate the 'hot-spot' phenomenon of canopy bidirectional reflectance while conserving energy, a challenge known to the classic radiative transfer models. Therefore, these theoretical developments have a far-reaching influence in optical remote sensing of the biosphere.
关键词： vegetation remote sensing,stochastic radiative transfer equation,spectral invariants theory
更新于2025-09-23 15:23:52
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Modulation the electronic property of 2D monolayer MoS2 by amino acid
摘要： 2D molybdenum disulfide (MoS2) has a strong potential for the detection of biomolecules, however, the specific interactions between individual amino acids and MoS2 surface are still unclear. Herein, the adsorption properties and electronic structures of amino acid/MoS2 systems were investigated systematically for the 20 standard amino acids based on density functional theory. The adsorption strength of amino acids on MoS2 monolayer decreases in the following order: TRP > ARG > PHE > TYR > LYS > HIS > PRO > ASN > MET > LEU > ILE > VAL > GLU > GLN > THR > ASP > CYS > SER > ALA > GLY. The band gap of amino acid/MoS2 system is determined by the energy level of HOMO orbit of the adsorbed amino acid, in which the higher energy level of HOMO orbit will result in a smaller band gap. As proof of concept, optical and electrical detection of the MoS2 based transistors with and without amino acid molecules (TRP and CYS) were studied. Adsorption of amino acids on a MoS2 surface allows their chemical information to be transformed into distinct analytically optical and electronic signals, which opens up new possibilities for fabricating novel MoS2 based highly selective biosensors.
关键词： Amino acid,MoS2,Density functional theory,Field effect transistors
更新于2025-09-23 15:23:52
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Structures and electronic properties of Cu <i> <sub/>m</sub></i> Co <i> <sub/>n</sub></i> O <sub/>2</sub> ( <i>m</i> ? <i>+</i> ? <i>n</i> ?=?2–7) clusters
摘要： A theoretical study was carried out of CumConO2(2 ≤ m + n ≤ 7) clusters using density functional method. O2 molecules are adsorbed at top sites. After adsorption, O2 molecules are activated. The Δ2E value of CuCo3O2 cluster is obviously the smallest, indicating that its thermodynamic stability is the worst. While Cu6CoO2 displays stronger chemical stability. Charge transfer from Cu–Co to anti-bonding orbital of O2, which leads to O–O getting longer. The Mulliken charge population and PDOS analysis are also discussed.
关键词： electronic properties,O2 adsorption,density functional theory,structures and stability
更新于2025-09-23 15:23:52
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The Sensing Applications in U-Shape Structure Based on Dual Transparency Windows
摘要： We have researched a U-shape structure that consists of three vertical cavities coupled with bus wave-guide. The theoretical results based on the coupled mode theory are consistent with simulation results. We demonstrate that the interaction among two bright and one dark modes lead to dual plasmon induced transparency. Meanwhile, it is found that the lateral displacement S plays an important role in the transmission property, and the transmission dip with different transmittance in various lateral displacement S has been explained theoretically. Moreover, the nano sensor has a sensitivity of 1225 nm shift per refractive index unit, and the ?gure of merit is up to 62.5. The proposed structure has the advantages of simple and compact structure, easy fabrication, and the ultra-compact structure holds great potential to the control of light in highly integrated optical circuits and nano sensor.
关键词： Surface plasmons,nano sensors,coupled mode theory
更新于2025-09-23 15:23:52