Shift Of Peak Position Research Articles

Structural modifications of BiOBr nanoplates by electron beam irradiation

Abstract In this study, BiOBr nanoplates are synthesized through the hydrothermal method, then samples have been irradiated by an electron beam of 10 MeV energy to deliver doses of 100 kGy and 500 kGy. XRD and Raman investigations corroborated the presence of a pure phase in all nanoplate samples. The sharp and narrow peaks in XRD indicate well crystalline in nature of the samples, which decreases with increasing the electron dose as confirmed by the decay in peak intensity. Conversely, the peak position shifts at lower angle with increasing the electron dose. Structural factors including lattice parameter, dislocation density, cell volume, microstrain, as well as stacking fault have been found to change due to electron beam irradiation. We employed the Debey-Scherrer formula (D-S), Size Strain Plot method (SSP), and Halder Wagner (H-W) methods to determine the crystal size and strain of purified and irradiated BiOBr nanoplates. It has been found that the size of the crystallites increases nonlinearly as the irradiation dose increases. All three of the aforementioned calculation methods have observed this trend. Strain and dislocation density exhibited the opposite trend of crystallite size, as they decreased as the irradiation dose increased. The dislocation density, strain, and crystallite size values are nearly identical for the SSP and H-W procedures, while the D-S method exhibits values with deviation. The tetragonal structure and the Raman active mode, which we have identified as closely resembling those in other literature of this composition, are discussed in the respective section. Because of their intriguing phase strength, the synthesized nanoplates may be suitable for the degradation of organic pollutants and the separation of water through photo-electrocatalysis.

Detection of Layer Charge Density in Layered Double Hydroxides and Studies on Host‐Guest Interactions

AbstractThe layer charge density of layered double hydroxides (LDHs) significantly affects interlayer spacing, the arrangement of interlayer anions and water molecules, thermal stability, as well as adsorption performance. However, traditional methods for evaluating the layer charge density of LDHs are complex, prone to large errors, and impacted by numerous factors, rendering these methods unable to facilitate direct comparisons of layer charge density across different LDH compositions. Consequently, this study proposes a novel approach based on the host‐guest supramolecular interactions in LDHs to investigate the layer charge density by analyzing changes in the position of the infrared absorption peaks of interlayer guest species. The shifts in infrared absorption peak positions are employed to assess the layer charge density of MgAl‐LDHs with varying molar ratios (M2+/M3+=2, 2.5, 3, 3.5, 4). The validity of using infrared peak position shifts is corroborated through a combination of techniques, including Raman spectroscopy, TG‐DTG, XRD, Zeta potential, and adsorption analyses. Furthermore, the layer charge density of NiAl, CoAl, MgFe, and NiFe‐LDHs are evaluated, confirming the universality of the infrared method. By ranking layer charge density of LDHs with different compositions and ratios, this study resolves the challenge of comparing LDHs with diverse layer compositions.

Spectrum reconstruction of experimentally produced nano-colloids using Mie theory

Aim: Synthesis of plasmonic nanoparticles, characterization, size detection by modeling. Methods: Colloidal plasmonic gold and silver nanoparticles were prepared by laser ablation with a 1,064 nm pulsed Nd:YAG laser with equal fractional volume and then were illuminated with its 532 nm second harmonic pulse. After the illumination process, we observed 1 nm blue shift in peak position of gold colloid and 4 nm blue shift in silver colloid. We observed a variation in the dielectric function due to nanoparticle size reduction in both samples. Using micrograph, size distribution was plotted and with the help of Mie theory and size dependent dielectric function, we reconstructed absorption spectrum to best fit the experimental spectrum and we estimated 12- and 16-fold increase in the number of Au and Ag nanoparticles respectively, due to illumination. Results: We have estimated size distribution of produced nanoparticles. Conclusions: We produced silver and gold colloids with ablation of their foils in water without any surfactant, and then we fragmented the nanoparticles colloids with an intense nanosecond laser and studied the effect of illumination on peak position and size distribution of colloids.

Resonance Testing Data Evaluation Approaches for Scaling Onset Detection in Pipelines

Most industries dealing with pipelines face problems resulting from the buildup of deposits therein, such as reduced efficiency, downtime and increased maintenance costs. Although solutions to this issue have been sought for decades, no widely employed technique for monitoring growth of inorganic deposits (or ‘scaling’) in pipelines exists. In this research, a means of detecting the onset of scaling growth, by processing resonance testing data, was sought. For the resonance testing measurements the pipeline segment of interest is equipped with acceleration sensors which record signals generated by impacting the pipeline with a steel tip. The signals are Fourier transformed and analysed in the frequency domain, where a clear shift in frequency peak positions can be observed as the scaling thickness changes. How best to extract quantitative information from the generated frequency data is an open question. In this research, two data analysis approaches for scaling thickness prediction are compared: a supervised (binary classification) machine learning approach as well as a comparison-based change detection approach using cross-correlation. The supervised machine learning approach yields generalizable results for different acceleration sensors and impactor diameters whilst the change detection approach is sensitive from a scaling thickness of 0.5 mm. Whilst this research is specific to the pipe–scaling geometry—and type used in the experiments conducted, resonance testing can be applied to any pipe–scaling combination. The robustness of the data processing approaches presented in this work, when applied to other pipe–scaling materials and geometries, is the next point of research.

Elucidating the Impact of Mn-Fe Substitution on The Crystal Structure of LiMn(x)Fe(1-x)PO4 Solid Solutions: A Theoretical Study

Abstract This study generated crystallography information files (CIF) to synthesize LiMn(x)Fe(1-x)PO4 solid solutions, with the Mn to Fe substitution ratio (x) ranging from 0 to 1 in 0.1 increments, guided by Vegard’s law, utilizing crystallography software. The investigation focused on how this substitution influences key structural parameters and properties within the Mn-Fe Olivine system. Specifically, it examined variations in lattice parameters, unit cell volume, cell density, and Theoretical capacity attributable to the substitution factor. Furthermore, X-ray diffraction (XRD) patterns, predicted using mathematical models through the same software, provided insights into structural changes. Notably, the XRD analysis revealed a progressive shift in peak positions and an increase in peak intensities corresponding to the substitution level. These observations were linked to the altered lattice parameters resulting from the introduction of ions with varying ionic radii, and an enhanced electron density stemming from the increased presence of Fe. This comprehensive analysis underscores the significant impact of Mn-Fe replacement on the microstructural characteristics and electron density of the olivine system, offering valuable insights into material design and optimization in the context of energy storage materials.

Green synthesis of ZIF-67 nanoparticles via microfluidics: Towards sustainable nanomaterial production

This study explored the synthesis of zeolitic imidazolate framework-67 (ZIF-67) nanoparticles using a microfluidic reactor, focusing on the effects of reactant concentration, temperature, and flow rate on the material’s properties. Design Expert software was utilized to optimize these variables to enhance the synthesis process while preventing reactor clogging due to precipitate formation. The experiments varied concentrations of cobalt (II) nitrate hexahydrate and 2-methylimidazole, along with temperature and flow rates. After synthesis, the samples underwent extensive characterization, including FTIR, NMR, TEM, SAED, and XRD analyses. FTIR results confirmed the successful formation of ZIF-67, with varying conditions leading to shifts in peak positions and intensities, indicating changes in bonding and molecular structure. NMR spectra provided insights into the hydrogen environments within the nanoparticles. TEM and SAED analyses revealed that the nanoparticles predominantly exhibited a uniform rhombic dodecahedral morphology with diameters ranging from 5 to 10 nm. XRD patterns were consistent with simulated data, showing variations in peak positions and crystallinity with changes in synthesis conditions. The study highlighted that increasing reactant concentrations, temperature, and flow rate generally enhanced the production rate and crystallinity of ZIF-67, with 2-methylimidazole concentration having the most significant impact. The findings contributed to optimizing ZIF-67 synthesis, demonstrating the feasibility of using microfluidic reactors and green solvents for producing high-quality nanoparticles with controlled properties.

Gamma radiation-induced changes in the structural and optical properties of CsPbBr3 thin films for space applications

Perovskite nanocrystals (NCs) are emerging as a next generation display technology. In this regard, exploring the structural and optical stability when subjected to radiation is crucial for expanding their application in aerospace and radiation detection technologies. In this study, we investigated the effects of gamma radiation on CsPbBr3 heterojunction thin films through a comprehensive analysis of their structural and optical characteristics. The thin films of CsPbBr3 were subjected to varying doses of gamma radiation, ranging from 100 krad to 1 Mrad, followed by thorough examination using X-ray diffraction (XRD) and optical spectroscopy techniques. Our findings unveil significant changes in the crystal structure of CsPbBr3 thin films when exposed to gamma radiation, including shifts in diffraction peak positions from cubic to monoclinic phases, broadening of peaks, and variations in peak intensities due to induced surface defects. The optical properties, such electroluminescence (EL) and photoluminescence (PL) intensity slightly drops at the moderate irradiation dose of 300 krad, while at an irradiation dose of 1 Mrad deteriorated severely. Notably, 300 krad is equivalent to the radiation dose accumulated by satellites in low-Earth orbit over 10 years. The findings in this work suggest the fabricated CsPbBr3 thin film has the potential to be used in space applications.

Dynamics of Airyprime beams with higher-order spectral phase modulation in the fractional Schrödinger equation

In this paper, the effects of spectral phase modulation on propagation characteristics of Airyprime beams modeled by fractional Schrödinger equation are studied, and the propagation dynamics of Airyprime beams are analyzed. It is found that the second and third-order spectral phase modulation significantly affect the beams dynamics. For the second-order spectral phase modulation, an increase in the Lévy index leads to a forward shift of the peak position, and the peak intensity increases for the positive spectral modulation coefficient, while the opposite tendency of the peak intensity is found for the negative spectral modulation coefficient. In addition, the appearance of multiple peaks depends on the positive modulation coefficient. For the third-order spectral phase modulation, the peak intensity increases under the larger spectral phase modulation coefficient with the backward shift of the maximum peak position, and an increase of the Lévy index results in the forward shift of the focusing position. The results show potential applications of Airyprime beams in various fields such as optical controlling and manipulation.

Accuracy and limitations of the bond polarizability model in modeling of Raman scattering from molecular dynamics simulations.

Calculation of Raman scattering from molecular dynamics (MD) simulations requires accurate modeling of the evolution of the electronic polarizability of the system along its MD trajectory. For large systems, this necessitates the use of atomistic models to represent the dependence of electronic polarizability on atomic coordinates. The bond polarizability model (BPM) is the simplest such model and has been used for modeling the Raman spectra of molecular systems but has not been applied to solid-state systems. Here, we systematically investigate the accuracy and limitations of the BPM parameterized from the density functional theory results for a series of simple molecules, such as CO2, SO2, H2S, H2O, NH3, and CH4; the more complex CH2O, CH3OH, CH3CH2OH, and thiophene molecules; and the BaTiO3 and CsPbBr3 perovskite solids. We find that BPM can reliably reproduce the overall features of the Raman spectra, such as shifts of peak positions. However, with the exception of highly symmetric systems, the assumption of non-interacting bonds limits the quantitative accuracy of the BPM; this assumption also leads to qualitatively inaccurate polarizability evolution and Raman spectra for systems where large deviations from the ground state structure are present.

Improving Cs2AgBiBr6 double perovskite solar cells through graphdiyne doping: A Stride towards enhanced performance

Lead-free halide double perovskites (LFHDPs) based on Cs2AgBiBr6 provide a promising replacement for conventional lead-based LBPs, offering significant benefits in terms of non-toxicity and chemical stability. Nevertheless, the efficiency of Cs2AgBiBr6 solar cells is restricted due to their significant bandgap (Eg). The proposed solution involves optimizing the optical and photovoltaic properties of Cs2AgBiBr6 through graphdiyne (GD) doping. The synthesized Cs2Ag0.95GD0.05BiBr6 is extensively characterized by means of X-ray diffraction (XRD), solar simulator studies, and UV–vis spectroscopy. XRD analysis reveals peak position shifts, indicating changes in the crystal structure caused by GD doping. Optical examination indicates a drop in Eg, this results in enhanced light absorption in the visible region. The increased performance of the Cs2Ag0.95GD0.05BiBr6 solar cell is demonstrated by its higher fill factor (FF), open-circuit voltage (Voc), and short-circuit current (Jsc), which are measured at 0.91 V, 5.58 mA-cm−2, and 0.75, respectively. As a result, the power conversion efficiency (PCE) increases to 3.74 % from 3.37 %. Our research not only tackles film formation issues but also develops stable Cs2Ag0.95GD0.05BiBr6 as a high-performance material for solar applications. All in all, our effort promotes solar technology that is environmentally benign. This work develops stable Cs2Ag0.95GD0.05BiBr6 as a high-performance substance that aids in overcoming film forming challenges in solar applications. Overall, our work advances ecologically friendly solar technology.

Effects of hydrostatic pressure, temperature, and position-dependent mass on the nonlinear optical properties of triple delta-doped GaAs quantum well

In this study, we thoroughly investigate the impacts of hydrostatic pressure, temperature, and position-dependent mass (PDM) on the nonlinear optical properties of asymmetric triple δ-doped GaAs quantum wells. Our analysis covers total optical absorption coefficients, relative refractive index changes, nonlinear optical rectification, second harmonic generation, and third harmonic generation. Initially, we employ PDM to solve the time-independent Schrödinger equation using the diagonalization method under effective mass and parabolic band approaches, considering pressure and temperature dependencies. Utilizing the first four energy eigenvalues and eigenfunctions, we apply the compact density matrix method to compute the system’s nonlinear optical properties numerically. The results indicate a shift in optical property peak positions toward lower (higher) energy spectra with increasing hydrostatic pressure (temperature). Furthermore, the influence of PDM shifts the system’s optical properties toward the higher energy spectrum, resembling the effect of temperature. From an experimental and theoretical perspective, one of the topics that researchers work on most is GaAs-based δ-doped systems (δ-doped heterojunction bipolar transistors, δ-doped field effect transistors, δ-multiple independent gate field effect transistors, etc.). We believe these findings will provide valuable insights for the researchers involved in GaAs-based δ-doped optoelectronic device design.

Accurate and Robust Wide‐Range Luminescent Microthermometer Based on ALD‐Encapsulated Ga2O3:Cr DBR Microcavities

AbstractThe high spatial resolution and contactless optical readout capabilities of luminescence thermometry offer significant advantages in numerous fields, including biomedicine, space exploration and optoelectronics. In addition, robust, reproducible, and accurate temperature measurements are essential in these areas. The ultra‐wide band gap semiconductor material Ga2O3 is a suitable host for optical sensing in harsh environments due to its high stability. In this work, the thermometric operation of Ga2O3:Cr‐based microcavities are evaluated. They are designed as follows: Ga2O3:Cr microwires are encapsulated in multilayers fabricated by atomic layer deposition (ALD), which act as both Bragg reflectors and protective layers for the thermometric sensor. Prior to the ALD encapsulation step, focused ion beam carved trenches at the microwire ends are necessary to accommodate the multilayer coating. The structural and optical properties of the devices are assessed experimentally, analytically and by simulations. The developed microthermometers can be easily calibrated using a cubic polynomial for the temperature‐dependent resonant peak position shift. A better than 0.5 °C temperature resolution and accuracy for temperatures above −80 °C is demonstrated. Additionally, the devices show robustness against excitation laser densities of at least 34 W mm−2, can operate at temperatures up to 600 °C and remain functional in liquids.

Multiple layers, porous surface, and their role in increasing the efficiency of photocatalytic coating on (DD3, DD3+ZrO2) ceramics and glass

Magnesium-doped zinc oxide thin films were dip-coated onto porous ceramic and glass substrates under identical conditions (50 layers, same doping ratio). Structural, morphological, and photocatalytic properties were characterized using X-ray diffraction (XRD), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), UV–visible spectrophotometry, and confocal microscopy. XRD analysis indicated a shift in peak positions towards higher angles, increased grain size, and lattice distortion on both substrates. Unique flower-shaped crystalline granulates were observed exclusively on the ceramic substrate (DD3Z). The energy gap decreased on the ceramic and increased on the glass substrate. The photocatalytic activity was evaluated using an aqueous orange II solution, showing significantly higher decomposition (80 ± 0.53 % after 6 h) on the ceramic compared to the glass substrate (30 %). The enhanced performance on ceramic substrates, particularly with DD3+ZrO2, was attributed to increased microporosity, surface roughness, and active material incorporation, facilitating greater photocatalytic efficiency. The findings suggest promising applications of these materials for efficient and cost-effective photocatalysis, with potential for reuse after thermal treatment at 500 °C.

Hibiscus leaf petiole derived activated carbon as a potential sorbent for basic green 4 and reactive yellow 15 dye exclusion from aqueous solution

In this study, hibiscus leaf petiole powder is used as a source of carbon to prepare bio-adsorbent. This bio-adsorbent is carbonized by heating and activated thereafter by means of KOH and employed as an alternative adsorbent for Basic Green 4 (BG4) and Reactive Yellow 15 (RY15) dyes. Microstructural features observed from scanning electron microscope (SEM) shows the presence of openings/voids before adsorption and their disappearance after dye adsorption. Fourier transform infrared (FTIR) spectrum shows the shift in peak positions of prominent functional moieties post adsorption endorsing the contact between bio-adsorbent and the dye molecules. The dye adsorption performance of as prepared bio-adsorbent on both the dyes were evaluated by varying the solution pH value between 3 and 9, initial dye concentration, Co between 30–90 mg/L, interaction time, t between 10 and 60 min and adsorbent dose, m between 0.1 and 0.6 g/50 ml. The optimal condition investigated for dye exclusion is computed to be Co = 30 mg/L, t = 40 min, m = 0.3 g for both the dyes. However, the pH values of 9 and 3 respectively were found to be optimum for the removal of BG4 and RY15. Maximum adsorption capacity (qm) for RY15 and BG4 were found to be 41.23 and 61.38 mg/g respectively revealing hibiscus leaf derived activated carbon as an excellent bio-adsorbent. The adsorption kinetics of both dyes followed pseudo-second-order model and the adsorption isotherms is best suited to Langmuir model. These findings confirm that the as prepared bio-adsorbent can be successfully employed as an unconventional adsorbent to remove the toxic dyes from aqueous solutions.

Acoustic Shock‐Induced Low Dielectric Loss in Glycine and Oxalic Acid‐Based Single Crystals

AbstractGlycinium oxalate (GO) and Bis(glycinium) oxalate (BGO) crystals are successfully grown using the slow evaporation solution growth technique. Following their growth, the crystals are subjected to a series of acoustic shock pulses. The effects of these shock pulses on the structural, optical, dielectric, and morphological properties of the crystals are comprehensively analyzed using various characterization techniques, including powder X‐ray diffraction (XRD), UV‐Visible spectroscopy, dielectric spectroscopy, and optical microscopy. Structural analysis through XRD reveals shifts in diffraction peak positions, indicating structural deformations. Fourier transform infrared spectroscopy analysis assesses the chemical stability of GO and BGO under shocked conditions. UV‐Visible spectroscopy shows alterations in optical transmission with successive shock pulses, attributed to structural and surface defects. Dielectric properties are investigated over a frequency range from 1 Hz to 1 MHz, revealing variations in dielectric constant and loss tangent, which provide insights into the electrical behavior of the materials under normal and shocked conditions. Optical and scanning electron microscopy examine surface morphology, visualizing defects induced by the shock pulses. This study highlights the significant impact of shock pulses on the structural properties, optical transmission, dielectric properties, and surface morphology of GO and BGO crystals, offering valuable information on their resilience under dynamic conditions and potential applications.

Wet Chemical Synthesis of AlxGa1−xAs Nanostructures: Investigation of Properties and Growth Mechanisms

This study focuses on the wet chemical synthesis of AlxGa1−xAs nanostructures, highlighting how different deposition conditions affect the film morphology and material properties. Electrochemical etching was used to texture GaAs substrates, enhancing mechanical adhesion and chemical bonding. Various deposition regimes, including voltage switching, gradual voltage increase, and pulsed voltage, were applied to explore their impact on the film growth mechanisms. SEM analysis revealed distinct morphologies, EDX confirmed variations in aluminum content, Raman spectroscopy detected structural disorders, and XRD analysis demonstrated peak position shifts. The findings emphasize the versatility and cost-effectiveness of wet electrochemical methods for fabricating high-quality AlxGa1−xAs films with tailored properties, showing potential for optoelectronic devices, high-efficiency solar cells, and other advanced semiconductor applications.

Color Genesis and Chromatography of Yellow Silicified Corals

Color plays a vital role in revealing the formation environment and metasomatic processes of silicified coral. This study investigated the color mechanism and colorimetric characteristics of yellow silicified coral from the aspects of gemology and colorimetry. A Mako G-507C industrial camera, Raman spectroscopy, UV-Vis, EDXRF, and XRD were used for the 16 samples in this study. The results showed that the yellow color of the silicified coral was produced by Fe3+ and influenced by its degree of crystallization. The Raman peaks of all silicified corals were consistent with the standard spectral group peaks of α-quartz, where the yellow part was inferred to be goethite. The peaks at 545 and 505 nm, with a secondary peak near 435 nm in the UV-vis first-order derivative spectrum, were consistent with the presence of hematite and goethite, respectively. The band positions of the second-order derivative spectrum were shown to belong to one single-electron leap 6A1 → (4E;4A1) and one electron pair leap (6A1 +6A1) → (4T1 +4T1). The chroma and lightness were mainly affected by Fe3+. By analyzing the correlation between the Fe content and the characteristic peaks, it was found that an increase in the Fe content led to a red shift in the peak position of the main characteristic peaks, as well as an increase in the hight of the corresponding peaks in the UV-visible first-order derivative spectra. In silicified corals, an increasing crystallinity index is correlated with a decreasing phase proportion of moganite, decreasing Fe content in the bulk, and low chroma.

Numerical Voltammetry of Phase Separating Materials Using Phase Field Modeling

Higher capacity materials, such as Si and Sn are known to have phase separating behavior during the (de)lithiation. While initial models for lithiation in graphite electrode were based on single phase diffusion, with the introduction of Si and Sn, disposition of the models has shifted to the two-phase diffusion. It is important to understand the interaction of various phenomenon in materials which show phase change during (dis)charging cycles. In this work, we present a phase field model to simulate two-phase lithiation. This model is used to study the electrochemical response of the system by conducting numerical voltammetry. The main goal of this effort is to highlight the difference in electrochemical response occurring during single-phase diffusion and two-phase diffusion and explain the ensuing physics. Furthermore, effect of elasticity which governs the phase-change process and also alters corresponding voltammograms is also studied in detail. The voltammograms show clear shift in current peaks’ size and position for the changing diffusion behavior. Also as elasticity affects the two-phase diffusion, change in nucleation timing and diffusion rate are visible in voltammograms. Additionally, it is also observed how elasticity can cease the phase separation behavior and voltammogram for two-phase diffusion can become identical to single-phase diffusion.

Thermoluminescence response of carbon ion beam irradiated LiCaAlF6: Tb phosphor

Accurate measurement of the dose delivered to patients is crucial in any radiation therapy, including C ion beam radiotherapy, to ensure effective treatment and minimize the risk of damage to healthy tissues. The accessibility of thermoluminescence (TL) - based materials for carbon ion beam dosimetry continues to be constrained. With the aim of this, an investigation has been done to study the TL properties of the Terbium (Tb) doped LiCaAlF6 phosphor following irradiation with C ion beam. The LiCaAlF6: Tb phosphor has been synthesized using melting method in argon gas atmosphere. TL glow curves has been analyzed on exposure to carbon ion beams at energies of 85 MeV and 50 MeV within the fluence range of 109 - 1012 ions/cm2. The TRIM code, relying on Monte Carlo simulation, has been employed to compute parameters such as absorbed dose, ion range, and energy loss. The Tb-doped LiCaAlF6 phosphor exhibits a glow curve structure with distinctly resolved peaks at 130 °C and 325 °C. Notably, the TL intensity has been significantly increased by 105 times than that of undoped LiCaAlF6. This enhancement is attributed to the generation of a high density of Tb-associated defects within the energy band gap. The TL enhancement has been elucidated based on charge compensation mechanism. Further, TL glow curve shape and structure remain consistent across different energies, i.e., 85 and 50 MeV C ion beams, indicating an energy-independent behavior of this phosphor. Nevertheless, the TL intensity at 85 MeV is higher compared to that at 50 MeV. Detailed dosimetry properties have been investigated for 85 MeV C ion beams within the fluence range 2x109-5x1012 ions/cm2. The phosphor exhibits a sublinear dependence against dose for the studied fluence range with no discernible shift in peak position. The favorable outcomes include low fading during the initial days of storage time and batch homogeneity. TL glow curve analysis indicate the formation of trapping level in the range of 0.90–1.72eV within the band gap of the phosphor which are responsible for TL process. The phosphor's simple glow curve structure, minimal fading, consistent batch homogeneity and high stability of the glow curve suggest that the material can be explored for C ion beam dosimetry application.

Application and characterization of digital Sallen–Key filter in nuclear spectrum smoothing

In the nuclear spectrum analysis processing, spectrum smoothing can remove the statistical fluctuation in the spectrum, which is beneficial for peak detection and peak area calculation. In this work, a spectrum smoothing algorithm is proposed based on digital Sallen–Key filter, which contains four parameters (m, n, k, D). The amplitude–frequency response curve of Sallen–Key filter is deduced and the filtering performance is analyzed. Meanwhile, the effects of the four parameters on the shape of the smoothed spectrum are explored: D affects the counts and peak areas of the spectrum, and the peak area can be corrected by the peak area correction function S’. The parameters of m, n and k affect the peak position after smoothing, making the peak position shift to the right, and the peak position correction function P’ can be used to correct the peak position, when n¿2, the spectrum data appear negative after smoothing, when k¿2, the smoothed spectrum broadening degree is greater than 20%. Smoothness (R), noise smoothing factor (NSF), spectrum count ratio before and after smoothing (PER), and comprehensive evaluation factor (Q) are used to evaluate the smoothing effect of the algorithm. The parameters of the algorithm are optimally selected: about the gamma spectrum of 137Cs and 60Co, the optimal parameters are m=1.5 n=2 k=2 D=1, about the characteristic X-ray spectrum of Fe and quasi-geological sample (TiMnFeNiCuZn), the optimal parameters are m=1.1 n=1.1 k=1.3 D=1. Based on Sallen–Key smoothing method, Fourier transform method, Gaussian function method, wavelet transformation method, center of gravity method and least squares method, the gamma spectrum of 137Cs is smoothed and denoised in this paper. The results show that the Sallen–Key method has better spectrum denoising effect (R=0.6056) and comprehensive performance indicators (Q=0.6104), which can be further applied for the smoothing of nuclear spectrum data.