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X-Ray Photoelectron and Rutherford Backscattering Spectroscopy of Silicon Hyperdoped with Selenium 掺硒硅的 X 射线光电子和卢瑟福背散射光谱学
IF 0.8 4区 化学 Q4 SPECTROSCOPY Pub Date : 2024-07-05 DOI: 10.1007/s10812-024-01758-0
F. F. Komarov, Ting Wang, L. A. Vlasukova, I. N. Parkhomenko, O. V. Milchanin

The possibility of surface passivation of silicon by hyperdoping with Se and laser annealing was evaluated by x-ray photoelectron spectroscopy (XPS) and Rutherford backscattering spectroscopy. Silicon layers hyperdoped with Se were formed by Si implantation (140 keV, 6.1∙1015 cm–2) followed by pulsed laser annealing (PLA) (λ = 694 nm, W = 2.0 J/cm2, τ = 70 ns). The Se concentration in the subsurface region (2.0–2.5 nm) was 0.67% (3.35∙1020 cm–3). The high Se concentration could be attributed to its accumulation in the subsurface region during PLA to form Si–Se bonds. According to XPS, Se–O bonds did not form in the subsurface implanted layer during PLA. The chosen laser pulse energy density of W = 2 J/cm2 allowed high structural perfection (>91%) to be achieved and a high Se concentration (>69%) at the Si lattice sites to be attained.

通过 X 射线光电子能谱(XPS)和卢瑟福反向散射光谱评估了用 Se 超掺杂和激光退火对硅进行表面钝化的可能性。通过硅植入(140 keV,6.1∙1015 cm-2),然后脉冲激光退火(PLA)(λ = 694 nm,W = 2.0 J/cm2,τ = 70 ns),形成了硒超掺杂硅层。次表层区域(2.0-2.5 nm)的硒浓度为 0.67% (3.35∙1020 cm-3)。硒浓度较高的原因可能是在聚乳酸形成硅-硒键的过程中,硒在次表层区域的积累。根据 XPS,在 PLA 过程中,Se-O 键并没有在次表层植入层中形成。所选的激光脉冲能量密度为 W = 2 J/cm2,从而实现了较高的结构完美度(91%),并在硅晶格位点实现了较高的硒浓度(69%)。
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引用次数: 0
Estimation of Kinetic Parameters and Spectroscopic Analysis of Dy3+-Activated CaSi2O5 Phosphor Dy3+ 活化 CaSi2O5 磷酸盐的动力学参数估计和光谱分析
IF 0.8 4区 化学 Q4 SPECTROSCOPY Pub Date : 2024-07-05 DOI: 10.1007/s10812-024-01764-2
Prince Jain, Rishi Jaiswal, Vikas Dubey, Kanchan Tiwari, M. Tanooj Kumar, M. C. Rao

The synthesis and characterization of Dy3+-activated CaSi2O5 phosphor is reported. The phosphors were synthesized using a modified solid-state reaction method with variable concentrations of doping ions (0.1–2.5 mol.%) of Dy3+. The synthesized phosphors were characterized by X-ray diffraction (XRD) analysis and the field emission scanning electron microscopy (FESEM) technique. The XRD pattern revealed that the doped phosphors had a cubic structure. FESEM micrographs clearly indicated that the particles crystallized in inhomogeneous morphology on a micrometer scale with a sporadic and asymmetrical shape. Photoluminescence excitation and emission spectra were monitored for variable doping concentrations and the emission found at 485 and 576 nm (excited at 353 nm). The corresponding transitions of the doping ion and concentration quenching effect were studied in detail. The 1931 CIE (x, y) chromaticity coordinates (x = 0.30 and y = 0.31) showed the distribution of a spectral region calculated from PL emission spectra. On the basis of CIE analysis, the prepared phosphor is useful for white light emission in inorganic light-emitting diodes. As-synthesized phosphor was examined by thermoluminescence glow curve analysis with different doses of gamma and electron beam and corresponding kinetic parameters were calculated using the computerized glow curve deconvolution technique.

报告了 Dy3+ 活化 CaSi2O5 荧光粉的合成和表征。该荧光粉采用改良的固态反应方法合成,掺杂了不同浓度(0.1-2.5 mol.%)的 Dy3+离子。通过 X 射线衍射(XRD)分析和场发射扫描电子显微镜(FESEM)技术对合成的荧光粉进行了表征。X 射线衍射图显示,掺杂荧光粉具有立方结构。场发射扫描电子显微镜显微照片清楚地表明,颗粒在微米尺度上以不均匀的形态结晶,具有零星和不对称的形状。对不同掺杂浓度的光致发光激发和发射光谱进行了监测,发现发射光谱的波长分别为 485 和 576 nm(激发波长为 353 nm)。详细研究了掺杂离子的相应转变和浓度淬灭效应。1931 年 CIE (x, y) 色度坐标(x = 0.30 和 y = 0.31)显示了根据 PL 发射光谱计算出的光谱区域的分布。根据 CIE 分析,所制备的荧光粉可用于无机发光二极管的白光发射。用不同剂量的伽马射线和电子束对合成的荧光粉进行了热发光辉光曲线分析,并利用计算机辉光曲线解卷积技术计算了相应的动力学参数。
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引用次数: 0
Temperature Dependence of Optical Reflection Spectra of Cuinse2 Single Crystals with the Chalcopyrite Structure 具有黄铜矿结构的 Cuinse2 单晶的光学反射光谱的温度依赖性
IF 0.8 4区 化学 Q4 SPECTROSCOPY Pub Date : 2024-07-05 DOI: 10.1007/s10812-024-01754-4
O. M. Borodavchenko, V. D. Zhivulko, I. D. Myalik, A. V. Mudryi, M. V. Yakushev

Resonances of free excitons at energies A ~ 1.0409 eV, B ~ 1.0445 eV, and C ~ 1.2690 eV were detected in reflection spectra of single crystals of the direct-gap compound CuInSe2 at a temperature of 8.6 K. The appearance of the three reflection resonances A, B, and C could be explained by removal of degeneracy from valence-band energy levels due to the influence of crystal field and spin–orbit interaction on the tetragonal lattice of CuInSe2 with ΔCF ~ 5.4 meV and ΔSO ~ 224 meV. Measurements of the temperature dependence of the reflection spectra in the range 8.6–90 K showed the energies of free-exciton resonances A and B increased because of deformation of the unit cell (tetragonal stretching) of the CuInSe2 lattice with the chalcopyrite structure. The binding energies of free excitons A and B were determined as 10.7 and 152 meV based on temperature quenching of exciton resonances A ~ 1.0409 eV and B ~ 1.0445 eV

在温度为 8.6 K 的直接隙化合物 CuInSe2 单晶体的反射光谱中检测到了能量分别为 A ~ 1.0409 eV、B ~ 1.0445 eV 和 C ~ 1.2690 eV 的自由激子共振。由于晶体场和自旋轨道相互作用对 CuInSe2 四方晶格(ΔCF ~ 5.4 meV 和 ΔSO ~ 224 meV)的影响,价带能级的退行性被消除,这可以解释 A、B 和 C 三个反射共振的出现。在 8.6-90 K 范围内对反射光谱温度依赖性的测量表明,由于黄铜矿结构的 CuInSe2 晶格的单胞变形(四方伸展),自由激子共振 A 和 B 的能量增加。根据激子共振 A ~ 1.0409 eV 和 B ~ 1.0445 eV 的温度淬灭,确定自由激子 A 和 B 的结合能分别为 10.7 和 152 meV。
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引用次数: 0
Spectrophotometric Method Using the Derivative for the Determination of the Drug Losartan 使用衍生物的分光光度法测定药物洛沙坦
IF 0.8 4区 化学 Q4 SPECTROSCOPY Pub Date : 2024-07-05 DOI: 10.1007/s10812-024-01774-0
Maha A. Mohammed, Kawther Ahmed Sadiq, Elham N. Mezaal, Dheefaf F. Hassan

A sensitive, easy, and low-cost method used in the determination of pure forms of losartan and mebeverine hydrochloride, also in pharmaceutical preparations with derivative spectrometry using UV-Vis technology. This method depends on measuring the first derivative of the spectrum using zero cross, peak to base line, and peak area. The linear range of concentrations used was equal to 2–14 ppm for losartan, whereas for mebeverine hydrochloride it was equal to 2–16 ppm in a mixture. For losartan, in the presence of mebeverine hydrochloride, 12 ppm by utilizing peak to baseline correlation coefficients 0.9984, 0.9994, and peak area 0.9972, whereas for mebeverine hydrochloride in the presence of losartan, 12 ppm by utilizing peak to fundamental correlation coefficients 0.9952, 0.9966, 0.9957, and peak area 0.9970, 0.9971, 0.9968, 0.9971. The limit of detection for each drug, losartan and mebeverine hydrochloride, is equal to 0.0113 ppm. The accuracy and precision of the method were estimated by calculating relative standard deviation (%RSD) values less than 3% while maintaining a recovery percentage of acceptable value. The proposed method proved effective and efficient at estimating both losartan and mebeverine hydrochloride, in the presence of the other in a mixture of the two without interference, despite the closeness of their spectral absorption peaks. There are no other more accurate methods for estimating the two in a mixture than the proposed method. The proposed method is considered one of the most direct and economical methods that do not require reagents or additional materials for conducting reactions and studying the optimal conditions for those interactions. Thus, it is considered one of the green chemistry techniques that reduce the use of chemicals and reagents in the process of estimating these drugs in a mixture and in a shorter period of time. The proposed method can be used to estimate the different properties in a mixture of the two compounds whose absorption spectra are close.

一种灵敏、简便、低成本的方法,用于测定药物制剂中的纯品盐酸洛沙坦和美贝维林,也可使用紫外可见技术的衍生光谱法。该方法利用零交叉、峰至基线和峰面积测量光谱的一阶导数。洛沙坦的线性浓度范围为 2-14 ppm,而盐酸甲贝维林在混合物中的线性浓度范围为 2-16 ppm。对于洛沙坦,在有盐酸美贝维林存在的情况下,利用峰与基线的相关系数 0.9984、0.9994 和峰面积 0.9972,可测得 12 ppm;而对于盐酸美贝维林,在有洛沙坦存在的情况下,利用峰与基线的相关系数 0.9952、0.9966、0.9957 和峰面积 0.9970、0.9971、0.9968、0.9971,可测得 12 ppm。洛沙坦和盐酸甲泼尼龙的检出限均为 0.0113 ppm。通过计算相对标准偏差(%RSD)值小于 3%,同时保持回收率为可接受值,估计了该方法的准确度和精密度。事实证明,尽管洛沙坦和盐酸甲贝维林的光谱吸收峰很接近,但在两者的混合物中同时存在另一种药物时,所提出的方法能有效且高效地估算出两者的含量,而不会产生干扰。目前还没有比该方法更准确的方法来估算混合物中的这两种药物。建议的方法被认为是最直接、最经济的方法之一,它不需要试剂或其他材料来进行反应和研究这些相互作用的最佳条件。因此,它被认为是绿色化学技术之一,可在较短时间内减少混合物中这些药物的估算过程中化学品和试剂的使用。所提出的方法可用于估算吸收光谱接近的两种化合物混合物的不同性质。
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引用次数: 0
Mechanism of Photodamage of Microbial Cells Sensitized by Indotricarbocyanine Dye 吲哚三碳菁染料敏化微生物细胞的光损伤机制
IF 0.8 4区 化学 Q4 SPECTROSCOPY Pub Date : 2024-07-05 DOI: 10.1007/s10812-024-01759-z
A. A. Tabolich, A. I. Tretyakova, L. G. Plavskaya, T. S. Ananich, R. K. Nahorny, V. Y. Plavskii, L. S. Lyashenko, E. S. Voropay, A. P. Lugovski

The mechanism of photodamage of E. coli Gram-negative bacterial cells sensitized with indotricarbocyanine dye PK220 was studied upon exposure to radiation from an LED source with emission spectrum maximum wavelength λmax = 745 nm corresponding to the long-wavelength absorption band of the dye. The intensity of the cells' own (not enhanced by activator additives) light-induced chemiluminescence was used to assess the magnitude of the photobiological effect. The main contribution to their photodestruction immediately after cessation of cell-suspension irradiation came from singlet oxygen and to a lesser extent from H2O2. Hydroxyl radicals did not play a significant role in the mechanism of sensitized photochemical processes.

研究了吲哚三羰花青染料 PK220 致敏的大肠杆菌革兰氏阴性菌细胞暴露于 LED 光源辐射时的光损伤机制,LED 光源的发射光谱最大波长 λmax = 745 nm,与该染料的长波长吸收带相对应。细胞自身(未被活化剂添加剂增强)光诱导化学发光的强度被用来评估光生物效应的大小。细胞悬浮液辐照停止后立即产生的光破坏主要来自单线态氧,其次是 H2O2。羟基自由基在敏化光化学过程的机制中没有发挥重要作用。
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引用次数: 0
Diagnosis of Bactericidal Components of Air-Plasma Jets by IR and UV Absorption Spectroscopy** 利用红外和紫外吸收光谱诊断空气等离子体射流中的杀菌成分**
IF 0.8 4区 化学 Q4 SPECTROSCOPY Pub Date : 2024-07-05 DOI: 10.1007/s10812-024-01748-2
A. V. Kazak, A. A. Kirillov, L. V. Simonchik, M. M. Kuraica, B. M. Obradovic, G. B. Sretenovic

The bactericidal components of air plasma jets generated by a direct-current glow discharge and a dielectric barrier discharge were studied using IR and UV absorption spectroscopy. The mole fractions of bactericidal components with an absorption spectrum band structure were determined by selecting a mole fraction value in the calculated spectrum that ensured correlation with the experimental spectrum. The spectra were calculated using the HITRAN spectral database and the Specair 3.0 program. The error in the mole fractions due to violation of the Bouguer–Lambert–Beer law when using absorption coefficients convoluted with the instrument function was determined. The mole fractions of bactericidal components with a continuous absorption spectrum were calculated using the Bouguer–Lambert–Beer law in a standard way. IR and UV absorption spectroscopy were shown to enable determination of the mole fractions for the full set of bactericidal components in air plasma jets of glow and barrier discharges.

利用红外和紫外吸收光谱对直流辉光放电和介质阻挡放电产生的空气等离子体射流中的杀菌成分进行了研究。通过在计算光谱中选择一个能确保与实验光谱相关的分子分数值,确定了具有吸收光谱带结构的杀菌成分的分子分数。光谱是使用 HITRAN 光谱数据库和 Specair 3.0 程序计算得出的。在使用仪器函数卷积的吸收系数时,确定了因违反布格-兰伯特-比尔定律而导致的分子分数误差。使用布格-兰伯特-比尔定律,以标准方法计算了具有连续吸收光谱的杀菌成分的摩尔分数。实验表明,红外和紫外吸收光谱能够确定辉光和阻挡放电空气等离子体射流中全部杀菌成分的分子分数。
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引用次数: 0
Corrosion Characteristics of XVII Century Portuguese Cast Iron Cannon from Goa (India) Using Spectroscopic Analysis 利用光谱分析果阿(印度)XVII 世纪葡萄牙铸铁大炮的腐蚀特征
IF 0.8 4区 化学 Q4 SPECTROSCOPY Pub Date : 2024-07-05 DOI: 10.1007/s10812-024-01762-4
Meenakshi Singh, Manager Rajdeo Singh

The study investigates the corrosion behavior and microstructural changes in seventeenth-century cast iron cannons exhibited at the Archaeological Museum in Goa. Chipped samples from four cannons underwent analysis for surface morphology, microstructure, and elemental composition using optical microscopy, SEM-EDX, and X-ray diffraction. FTIR spectroscopy was employed to identify the molecular structure of organic compounds, metal oxides, and oxyhydroxides on the surface. The findings reveal that the pearlite matrix of the cast iron contains graphite flakes, leading to a distinctive form of graphitic corrosion on the cannon surface. Highly localized graphitic corrosion areas on the surface have resulted in pits or series of pits, posing a potential risk to the structural integrity of the cannons over time. The study identifies the presence of chloride as a contributing factor to the corrosion process, working in tandem with graphitic corrosion of the cast iron. Understanding these corrosion mechanisms is crucial for developing strategies to ensure the long-term preservation of these historical artefacts.

本研究调查了果阿考古博物馆展出的十七世纪铸铁大炮的腐蚀行为和微观结构变化。利用光学显微镜、扫描电镜-电子衍射和 X 射线衍射对四门大炮的碎屑样品进行了表面形态、微观结构和元素组成分析。傅立叶变换红外光谱法用于确定表面有机化合物、金属氧化物和氧氢氧化物的分子结构。研究结果表明,铸铁的珠光体基体中含有石墨薄片,导致大炮表面出现独特的石墨腐蚀。表面上高度局部化的石墨腐蚀区域已形成凹坑或一系列凹坑,随着时间的推移对大炮的结构完整性构成潜在风险。研究发现,氯化物的存在是导致腐蚀过程的一个因素,它与铸铁的石墨腐蚀同时起作用。了解这些腐蚀机制对于制定确保这些历史文物长期保存的战略至关重要。
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引用次数: 0
Microstructure and Optical Characteristics of Nickel Nanoparticles Obtained by One-Step Synthesis Method 一步合成法获得的镍纳米粒子的微观结构和光学特性
IF 0.8 4区 化学 Q4 SPECTROSCOPY Pub Date : 2024-07-05 DOI: 10.1007/s10812-024-01755-3
V. F. Gremenok, N. N. Musaeva, Kh. Kh. Khalilova, A. L. Zheludkevich, O. F. Demidenko, D. A. Kiselev, V. V. Khoroshko, B. M. Izzatov, M. T. Alizade

Nickel nanoparticles were synthesized at room temperature by a one-step method of chemical reduction of Ni ions from NiCl2∙6H2O using NaBH4. The microstructure of the nanoparticles was studied by x-ray diffraction, Raman spectroscopy, and scanning and transmission electron microscopy. An analysis of x-ray diffraction and Raman spectroscopy data showed that the obtained nanoparticles had the cubic metallic Ni structure with a crystallite size (coherent scattering region) of 3–6 nm. Studies of the morphology indicated that the Ni nanoparticles were spherical in shape and in contact with each other to form large agglomerates of nanograins.

采用 NaBH4 将 NiCl2∙6H2O 中的镍离子一步化学还原的方法,在室温下合成了镍纳米粒子。通过 X 射线衍射、拉曼光谱、扫描和透射电子显微镜研究了纳米粒子的微观结构。对 X 射线衍射和拉曼光谱数据的分析表明,获得的纳米粒子具有立方金属镍结构,晶粒大小(相干散射区)为 3-6 纳米。形态学研究表明,纳米镍粒子呈球形,相互接触形成大的纳米颗粒团聚体。
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引用次数: 0
Research on Spectral Measurement Method for Content of Bicolor Mixed Ink 双色混合墨水含量的光谱测量方法研究
IF 0.8 4区 化学 Q4 SPECTROSCOPY Pub Date : 2024-07-05 DOI: 10.1007/s10812-024-01767-z
Shuyang Fang, Wenhao Zhang, Rui Zhang, Fei Jiang, Qiang Liu

To achieve consistent color reproduction of printed products and accurate measurement the content of mixed ink has always been an important research topic in the printing industry. This paper proposes a spectral-based method for measuring the content of dual-color mixed printing ink, aiming to solve the difficulty in determining the specific content of the base color in the same ratio of dual-color ink by using spectral analysis. First, a composite filtering method combining median filtering and wavelet transform was compared and selected for spectral preprocessing. Then, three methods, namely the successive projections algorithm (SPA), competitive adaptive reweighted sampling method (CARS), and stable competitive adaptive weighted sampling method (SCARS), were used to extract feature wavelengths from the preprocessed information. Based on partial least squares regression (PLSR), four models, PLSR, SPA–PLSR, CARS–PLSR, and SCARS, were established for predictive analysis. To further test the model, the SCARS–PLSR model was used for predictive analysis of magenta-cyan, yellow-magenta, and yellowcyan binary samples with a mass fraction ratio of 0.5. The results showed that the SCARS–PLSR model has the best predictive performance, with RMSE and R2 values of 0.0052, 0.0002, 0.0004 and 0.9989, 0.9999, 0.9999, respectively. This indicates that this study can accurately determine the content of dual-color ink by spectral analysis.

为实现印刷产品色彩还原的一致性,准确测量混合油墨的含量一直是印刷行业的重要研究课题。本文提出了一种基于光谱的双色混合油墨含量测量方法,旨在利用光谱分析方法解决双色油墨在相同配比下基色具体含量难以确定的难题。首先,比较并选择了中值滤波和小波变换相结合的复合滤波方法进行光谱预处理。然后,采用连续投影算法(SPA)、竞争自适应加权采样法(CARS)和稳定竞争自适应加权采样法(SCARS)三种方法从预处理信息中提取特征波长。在偏最小二乘法回归(PLSR)的基础上,建立了 PLSR、SPA-PLSR、CARS-PLSR 和 SCARS 四个模型进行预测分析。为了进一步测试该模型,使用 SCARS-PLSR 模型对质量分数比为 0.5 的品红-青色、黄-品红和黄-青色二元样品进行了预测分析。结果表明,SCARS-PLSR 模型的预测性能最好,RMSE 和 R2 值分别为 0.0052、0.0002、0.0004 和 0.9989、0.9999、0.9999。这表明本研究可以通过光谱分析准确地确定双色油墨的含量。
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引用次数: 0
Density Functional Theory Investigations of Optoelectronic Characteristics of MoS, MoSe, and MoSSe Monolayers 对 MoS、MoSe 和 MoSSe 单层膜光电特性的密度泛函理论研究
IF 0.8 4区 化学 Q4 SPECTROSCOPY Pub Date : 2024-07-05 DOI: 10.1007/s10812-024-01761-5
Aseel Alshammari, H. Alshehri, F. Barakat, A. Laref

Two-dimensional (2D) layered materials have illustrated prominent interest with various usages in optoelectronics, nanoelectronics, and solar cells. Numerous physical behaviors of 2D materials have been explored for a category of monolayer transition metal dichalcogenides (TMDCs). These involve molybdenum disulfide (MoS2), molybdenum diselenite (MoSe2), and MoSSe Janus monolayers that have gained remarkable interest because of their distinguished optoelectronic features. Particularly, the band gap transitions of these TMDC materials undergo from indirect band gap transition to direct one by reducing the dimension from the bulk-counterpart to their MoS2, MoSe2, and MoSSe monolayers, respectively. To this end, we conducted a comparative investigation and analysis of the electronic structure behaviors as well as optical spectra of MoS2, MoSe2, and MoSSe monolayers. The optical absorption spectra of these 2D materials are ranging between the infrared (IR) and visible regimes for MoS2, MoSe2, and MoSSe sheets and the absorption of light emerges between 1.6 and 1.8 eV, corresponding to their semiconducting character. These 2D materials are potential candidates for solar cells and optoelectronic applications.

二维(2D)层状材料在光电子学、纳米电子学和太阳能电池领域的各种应用引起了人们的极大兴趣。人们对二维材料的许多物理行为进行了探索,其中包括一类单层过渡金属二钙化物(TMDCs)。其中包括二硫化钼 (MoS2)、二硒化钼 (MoSe2) 和硒化钼 Janus 单层材料,这些材料因其卓越的光电特性而备受关注。特别是,这些 TMDC 材料的带隙转变是通过分别缩小其 MoS2、MoSe2 和 MoSSe 单层的尺寸而从间接带隙转变为直接带隙的。为此,我们对 MoS2、MoSe2 和 MoSSe 单层的电子结构行为和光学光谱进行了比较研究和分析。这些二维材料的光学吸收光谱介于 MoS2、MoSe2 和 MoSSe 薄片的红外(IR)和可见光区之间,光吸收出现在 1.6 至 1.8 eV 之间,与它们的半导体特性相对应。这些二维材料是太阳能电池和光电应用的潜在候选材料。
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引用次数: 0
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Journal of Applied Spectroscopy
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