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Characterization of time-resolved emission of N<sub>2</sub>(C) in an atmospheric pressure nanosecond pulsed air-plasma using streak spectroscopy
摘要： A new optical emission spectroscopy (OES) system using a streak camera (streak-OES) is developed to obtain highly time-resolved OES measurements of nanosecond-duration pulsed air-plasmas at atmospheric pressure. The newly developed system is used to measure the time evolution of the emission of N2(C), a critical species in the two-step mechanism of rapid heating characteristic of nanosecond pulsed discharges. Time resolution of less than 400 ps is achieved in the current system, a significant improvement over conventional OES measurements with ICCD cameras or photomultiplier tubes (PMTs). In addition, as long as the driving voltage pulse lies within the streak camera sweep window, the entire plasma emission spectrum for a single discharge is acquired. This capability is in contrast to prior studies where the time-dependent emission is obtained by plotting measurements at single steps from separate discharges. The effect of pulse repetition frequency (PRF) on the N2(C) decay is investigated by recording emission spectra for single discharges at 5-100 kHz. The streak images clearly show that the decay time of the N2(C-B,0-0) transition increases as the PRF is increased. The emission decay exhibits two distinct phases with significantly different decay rates, consistent with prior measurements. The 1/e lifetimes of the two decay regimes are found using exponential fits to the emission decay curves. In addition, joint statistics relating the decay times and energy deposited in the plasma were also obtained.
关键词： streak camera,N2(C) emission,atmospheric pressure,nanosecond pulsed discharges,optical emission spectroscopy
更新于2025-09-04 15:30:14
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Fast discrimination of bacteria using a filter paper–based SERS platform and PLS-DA with uncertainty estimation
摘要： Rapid and reliable identification of bacteria is an important issue in food, medical, forensic, and environmental sciences; however, conventional procedures are time-consuming and often require extensive financial and human resources. Herein, we present a label-free method for bacterial discrimination using surface-enhanced Raman spectroscopy (SERS) and partial least squares discriminant analysis (PLS-DA). Filter paper decorated with gold nanoparticles was fabricated by the dip-coating method and it was utilized as a flexible and highly efficient SERS substrate. Suspensions of bacterial samples from three genera and six species were directly deposited on the filter paper–based SERS substrates before measurements. PLS-DA was successfully employed as a multivariate supervised model to classify and identify bacteria with efficiency, sensitivity, and specificity rates of 100% for all test samples. Variable importance in projection was associated with the presence/absence of some purine metabolites, whereas confidence intervals for each sample in the PLS-DA model were calculated using a resampling bootstrap procedure. Additionally, a potential new species of bacteria was analyzed by the proposed method and the result was in agreement with that obtained via 16S rRNA gene sequence analysis, thereby indicating that the SERS/PLS-DA approach has the potential to be a valuable tool for the discovery of novel bacteria.
关键词： Chemometrics, partial least squares discriminant analysis,Surface-enhanced Raman spectroscopy,Reliability estimation,16S rRNA gene sequence analysis,Gold nanoparticles
更新于2025-09-04 15:30:14
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Electrical characteristics of PbO–CaO–TiO2–SiO2–B2O3 glass ceramics doped with germanium
摘要： Various glass samples in the compound 55[(PbxCa1?x)O?TiO2]-44[2SiO2?B2O3]-1Ge (0 ≤ x ≤ 0.7) were fabricated by using the melt-quenching technique and their glass ceramics (GC) were obtained by controlled crystallization of the glass samples. The identification of phase and crystal structure with measurement of cell parameters was carried out using X-ray diffractometer (XRD). XRD results revealed the presence of the single phase formation of rutile (TiO2). The surface morphology of the synthesized GC samples was evaluated using a scanning electron microscope (SEM). The electrical behaviour of three selected GC samples with x = 0.0, 0.3 and 0.7 was being widely studied using impedance and immittance spectroscopy. The lead free GC sample, x = 0.0 possesses a high dielectric constant, 91,252 at low frequency (50 Hz) and high temperature (500 °C) due to space charge polarization that was ascertained by impedance spectroscopy of the tested samples. The fitting of impedance spectra with a modelled equivalent circuit was performed and different values of resistance and capacitance were calculated.
关键词： Dielectric constant,Rutile TiO2,Glass ceramics,Impedance spectroscopy,Space charge polarization
更新于2025-09-04 15:30:14
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Two-dimensional ultraviolet spectroscopy of proteins
摘要： Two-dimensional ultraviolet (2DUV) spectroscopy is a novel technology for probing molecular structure. We have developed a generalized quantum mechanics/molecular mechanics (QM/MM) approach to simulate the electronic transitions of protein backbones and aromatic amino acids in aqueous solution. These transitions, which occur in the ultraviolet (UV) region, provide a sensitive probe of molecular structure. The features of 2DUV spectra are accurately characterized and enable us to trace small variations in the structure and dynamics as well as evolution propensity with high accuracy. Various structures and dynamic phenomena are investigated to construct a systematic framework for 2DUV simulation mechanisms, so as to explore further applications of this technique. In this feature article, we summarize the theory and applications of 2DUV spectroscopy we have engaged in recently, present the important roles of 2DUV spectroscopy, and outline directions for future development. We hope this article can offer a platform for more scientists in different research fields to gain a clear overview of 2DUVand further attract more people to explore this promising field.
关键词： two-dimensional ultraviolet spectroscopy (2DUV),quantum mechanics/molecular dynamics (QM/MM),molecular structure and dynamics,protein
更新于2025-09-04 15:30:14
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Encyclopedia of Spectroscopy and Spectrometry || Terahertz Imaging and Spectroscopy Methods and Instrumentation
摘要： Terahertz Imaging and Spectroscopy Methods and Instrumentation
关键词： Instrumentation,Terahertz,Spectroscopy,Imaging
更新于2025-09-04 15:30:14
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Heterodimer on MgO
摘要： We report on the magnetic properties of HoCo dimers as a model system for the smallest intermetallic compound of a lanthanide and a transition metal atom. The dimers are adsorbed on ultrathin MgO(100) films grown on Ag(100). New for 4f elements, we detect inelastic excitations with scanning tunneling spectroscopy and prove their magnetic origin by applying an external magnetic field. In combination with density functional theory and spin Hamiltonian analysis, we determine the magnetic level distribution, as well as sign and magnitude of the exchange interaction between the two atoms. In contrast to typical 4f ? 3d bulk compounds, we find ferromagnetic coupling in the dimer.
关键词： ferromagnetic coupling,heterodimer,density functional theory,spin excitations,scanning tunneling spectroscopy
更新于2025-09-04 15:30:14
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Effective quenching and excited-state relaxation of a Cu(I) photosensitizer addressed by time-resolved spectroscopy and TDDFT calculations
摘要： Homogenous photocatalytic systems based on copper photosensitizers are promising candidates for noble metal free approaches in solar hydrogen generation. To improve their performance, a detailed understanding of the individual steps is needed. Here, we study the interaction of a heteroleptic copper (I) photosensitizer with an iron catalyst by time-resolved spectroscopy and ab initio calculations. The catalyst leads to rather efficient quenching of the 3MLCT state of the copper complex, with a bimolecular rate being about three times smaller than the collision rate. Using control experiments with methyl viologen, an appearing absorption band is assigned to the oxidized copper complex demonstrating that an electron transfer from the sensitizer to the iron catalyst occurs and the system reacts along an oxidative pathway. However, only about 30% of the quenching events result in an electron transfer while the other 70% experience deactivation indicating that the photocatalytic performance might suffer from geminate recombination.
关键词： Solar hydrogen generation,Time-resolved spectroscopy,Ab initio calculations,Copper photosensitizers,Electron transfer
更新于2025-09-04 15:30:14
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Dynamics of Molecules Physically Adsorbed onto Metal Oxide Nanoparticles: Similarities between Water and a Flexible Polymer
摘要： Water at interfaces is considered present and important within almost all physical processes. Interfacial water shows nonbulk properties, however, its structure/organization and dynamics are on a still open debate. In parallel to that, the interfacial polymer in nanocomposites exhibits modi?ed structure and dynamics, the latter characteristic being widely considered responsible for the improved nanocomposite properties. One of the most suitable tools for studying dynamics of a variety of small molecules and macromolecules is broadband dielectric spectroscopy (BDS), mainly due to its high resolving power. BDS is employed here in combination with isothermal hydration and has proved quite illuminating in recording for the ?rst time striking similarities in the dynamics behavior between water molecules and ?exible polydimethylsiloxane macromolecules, when the latter molecules are individually adsorbed physically on the attractive surfaces of metal oxide nanoparticle. The qualitative similarities between water and polymer interfacial dynamics, for example, in their exhibiting time-scale and the elevation of the respective activation energy upon increasing of interfacial molecules fraction, lay most probably at the origins of the same main surface-adsorbed molecule interaction, i.e.. the hydrogen bonding. Whereas, the quantitative di?erences in molecular dynamics, e.g., slower, more energetically demanding, and cooperative interfacial dynamics for the polymer than for water, arise from the di?erent scale of the two molecular motions (<1 nm for water and ≥1 nm for the polymer) and/or from alternations in interfacial layer density.
关键词： dielectric spectroscopy,water,nanoparticles,polydimethylsiloxane,interfaces,dynamics,hydrogen bonding
更新于2025-09-04 15:30:14
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Exchange-driven intravalley mixing of excitons in monolayer transition metal dichalcogenides
摘要： Monolayer transition metal dichalcogenides (TMDCs) are promising two-dimensional (2D) semiconductors for application in optoelectronics. Their optical properties are dominated by two series of photo-excited exciton states—A (XA) and B (XB)1,2—that are derived from direct interband transitions near the band extrema. These exciton states have large binding energies and strong optical absorption3–6, and form an ideal system to investigate many-body effects in low dimensions. Because spin–orbit coupling causes a large splitting between bands of opposite spins, XA and XB are usually treated as spin-polarized Ising excitons, each arising from interactions within a specific set of states induced by interband transitions between pairs of either spin-up or spin-down bands (TA or TB). Here, by using monolayer MoS2 as a prototypical system and solving the first-principles Bethe–Salpeter equations, we demonstrate a strong intravalley exchange interaction between TA and TB, indicating that XA and XB are mixed states instead of pure Ising excitons. Using 2D electronic spectroscopy, we observe that an optical excitation of the lower-energy TA induces a population of the higher-energy TB, manifesting the intravalley exchange interaction. This work elucidates the dynamics of exciton formation in monolayer TMDCs, and sheds light on many-body effects in 2D materials.
关键词： intravalley exchange interaction,2D electronic spectroscopy,exciton states,many-body effects,monolayer transition metal dichalcogenides
更新于2025-09-04 15:30:14
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Fano resonance between coherent acoustic phonon oscillations and electronic states near the bandgap of photoexcited GaAs
摘要： Impulsive photo-excitation of solids results in a travelling strain pulse which manifests itself as coherent acoustic phonon oscillations. These oscillations have been extensively studied using time-resolved pump-probe spectroscopy. In the present work, we report the generation of extremely long-lived, coherent longitudinal acoustic phonon oscillations in intrinsic GaAs (100), with clear and unambiguous evidence of Fano interference between these oscillations and the continuum of electronic states close to the bandgap. Fano resonance is a widespread phenomenon observed in atomic systems and condensed media that arises from quantum interference between a continuum of quantum states and a discrete quantum state. Among other techniques, Fano resonance has been investigated with respect to optical phonons studied with Raman Spectroscopy. In the present work, we investigate Fano resonance in coherent phonon oscillations generated without the aid of any capping layer, dopants or substrate/interface effects. Since Fano resonance is sensitive to changes in electronic structure, doping and defects, these observations are important to the field of picosecond ultrasonics which is used for non-destructive depth profiling of solids and for carrier diffusion studies.
关键词： GaAs,coherent acoustic phonon oscillations,Fano resonance,quantum interference,pump-probe spectroscopy
更新于2025-09-04 15:30:14