28 December 2022, Volume 34 Issue 4
    

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  • Recent progress in extreme condition light scattering spectroscopy of solid ammonia
    TAO Yu, LIU Jingyi, WU Binbin, and LEI Li
    Chinese Journal of Light Scattering. 2022, 34(4): 261-272. https://doi.org/10.13883/j.issn1004-5929.202204001
    Abstract ( ) Download PDF ( ) Knowledge map Save
    Ammonia is one of the few simple hydrides constituted of intermolecular hydrogen bonds formed by van der Waals forces. Extreme condition light scattering spectroscopy plays an important role in determination of high pressure-temperature phase boundary , measurement of melting curve, and analysis of space structure. This review mainly analyzed the current research progress of solid ammonia in high-pressure light scattering spectroscopy. The Raman phonon spectrum and spatial structure of solid ammonia confirmed by experiments were summarized. Combined with the literature data, a relatively comprehensive P-T phase diagram of ammonia in the temperature and pressure range of 0-200 GPa and 0-3000 K was analyzed for the first time. This work has a certain reference value for the subsequent experiment of solid ammonia at high pressure and the further complement of its high-temperature and high-pressure phase diagram.
  • The Optical Absorption Properties of the Structure based on Metal-dielectric-metal Silver Nanoring Arrays
    WANG Zhao-hua, GAO Wan-fang, ZHANG Qiu-yan
    Chinese Journal of Light Scattering. 2022, 34(4): 273-277. https://doi.org/10.13883/j.issn1004-5929.202204002
    Abstract ( ) Download PDF ( ) Knowledge map Save
     In this paper, we design a plasmonic absorber with a three-layer structure in the mid-infrared region. The bottom metal layer is a silver metal square layer, the middle layer is a silicon dioxide dielectric layer, and the top metal layer is silver nanoring arrays. When the incident light is perpendicular to the absorber surface, the reflection, transmission and absorption spectra of different size element arrays are numerically simulated with the three-dimensional finite element method. It is shown that a perfect absorption peak is achieved at a wavelength of 2900 nm, with a half-height width of nm and an absorptivity of. The tunable range of resonance wavelength is 400 nm by varying the dimensions of this structure.
  • Influence of transverse initial position on the radiation characteristics of electrons in strong tightly focused linearly polarized laser field
    Hua Xinzhu, Shen Tong, Li Ke, Wang Yubo, Tian Youwei, Yan Gang
    Chinese Journal of Light Scattering. 2022, 34(4): 278-283. https://doi.org/10.13883/j.issn1004-5929.202204003
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    The scattering model of a single high-energy electron interacting with a Gaussian laser pulse is constructed on the basis of Lagrange’s equation to explore the relationship between high-energy electron radiation and the transverse initial position of electrons in tightly focused intense laser pulse line polarization. And data on electron motion and electron radiation were obtained with the help of MATLAB. After the interaction between the high-energy still electrons and strong tightly focused linearly polarized laser, they first oscillate in xOz plane, and then make a linear motion in the positive direction of the z-axis, with its lateral velocity gradually converting to the longitudinal velocity. Observing the interesting motion trajectory, spectral modulation structure, and spatial radiation distribution, it is found that the transverse initial position of the electron shows great impacts on electron movement, radiation intensity, and radiation distribution. As the transverse initial position of the electron increases positively, the direction of electron motion is rapidly shifted by the z-axis, and the transverse and vertical velocity loses its symmetry as well; there exist maximum values of the maximum spectral amplitude and the maximum radiation intensity with the increase of the transverse initial position, of which the radiation direction keeps its azimuth angle unchanged and the polar angle expanding. It is demonstrated that the center of laser pulse is not optimal for obtaining the brightest and hardest source of electromagnetic radiation. The hardest radiation pulse is generated when the initial position is set to 0.085 , with the maximum radiation energy at 1.34×10^8 , the polar angle is about 17 °, and the azimuth angle is 0 °
  • First-principles Study of Phonon Spectra and Thermodynamic Properties of 2D-monolayer Ca2N
    ZHANG Lei-lei, WANG Yi-jia, YANG Bao-cheng
    Chinese Journal of Light Scattering. 2022, 34(4): 284-289. https://doi.org/10.13883/j.issn1004-5929.202204004
    Abstract ( ) Download PDF ( ) Knowledge map Save
    One of the most effective ways to solve the energy crisis is to develop rechargeable secondary chemical battery materials with excellent performance. Because of their abundant raw material reserves and low prices, Na-ion batteries (NIB) are regarded as the best candidate materials to replace Li-ion batteries (LIB). Recent research has revealed that the layered electride Ca2N is an excellent candidate for NIB electrodes. However, the current research focuses mainly on the properties of bulk Ca2N, leaving the basic physical properties of monolayer Ca2N lacked. Based on this, this work investigates the lattice dynamics properties of 2D-monolayer Ca2N, gives the frequency values, degeneracy, and symmetry of this material’s optical vibration modes, and demonstrates the contribution of Ca and N atoms in different frequency ranges via phonon state of density. Finally, using the phonon spectrum, the basic thermodynamic properties of monolayer Ca2N, such as phonon vibrational free energy, entropy, and heat capacity, are calculated and compared to crystal Ca2N. This work has some reference value and theoretical guidance significance for experimental researchers interested in developing similar structural metal-ion battery materials with excellent performance.
  • Comparative Study on Spectroscopic Characteristics of Natural Sapphire and Synthetic Sapphire by Different Methods
    CAO Wenzheng, He Shanshan, Teng Yajun, ZU Endong
    Chinese Journal of Light Scattering. 2022, 34(4): 290-295. https://doi.org/10.13883/j.issn1004-5929.202204005
    Abstract ( ) Download PDF ( ) Knowledge map Save
    sapphire are beloved as precious colored gemstones, With the continuous development of gemstone synthesis technology, there are many synthetic sapphire made by different synthetic methods on the market. Conventional gemological identification cannot simply and accurately distinguish natural sapphire from synthetic sapphire made by different synthetic methods. The thesis uses UV-Vis-NIR spectrometer to perform spectral analysis on sapphire. It is found that natural sapphire has The absorption peaks at 387 nm, 452 nm and 566 nm are absent from the synthetic sapphire synthesized by Czochralski method, flame melting method and Paulson method. Both Czochralski and flame melting sapphire have an absorption band around 600 nm; the Paulson sapphire has an absorption peak around 660 nm, and the other three types of sapphire have no such absorption peak. According to characteristic peak fitting analysis by Raman spectrum and spss one-way ANOVA analysis, it is found that there are significant differences in the full width at half maximum between natural sapphire and synthetic sapphire, the full width at half maximum of natural sapphire are greater than 10.0 cm-1,and the full width at half maximum of three synthetic sapphires are less than 10.0 cm-1.The full width at half maximum of the sapphire synthesized by the Paulson method is concentrated around 8 cm-1, while the half width of the sapphire synthesized by the flame melting method is generally 8 cm-1~10 cm-1, and the half width of the sapphire synthesized by the Czochralski method is distributed in 6 cm-1~8 cm-1 range .By comparing and studying the significant differences in spectral characteristics of UV-Vis-NIR spectra and Raman spectra, it can be use to distinguish and identify between natural sapphire and sapphire synthesized by different methods in a simple, effective and non-destructive manner.
  • Preparation and Surface Enhanced Raman Spectroscopy of Ag/TiN Composite Films
    ZHAO Jing, FENG Linjie, PEI Yuan , WEI Hengyong, LI Bo, WU Zhengang, LI Jingwu
    Chinese Journal of Light Scattering. 2022, 34(4): 296-305. https://doi.org/10.13883/j.issn1004-5929.202204006
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    The highly sensitive substrate material is the key to the application of surface-enhanced Raman spectroscopy (SERS) technique. In this study, TiN thin film was compounded with noble metal silver by electrochemical deposition method to improve its SERS sensitivity by using their synergistic effect. The effects of electrochemical deposition parameters on the SERS properties of composite substrates were systematically investigated by means of XRD, SEM, UV-VIS and Raman. The results showed that when the concentration of deposition solution was 5 mmol/L, the deposition voltage was 5 V and the deposition time was 5 min, the two phases of monomeric Ag and TiN coexisted in the composite substrate, the Ag nanoparticles growth along the dominant crystal plane, and the silver particles on the TiN film grew into rod structure with uniform. Comparing with the substrates prepared under other deposition parameters, the composite film synthesized under the above conditions showed more obvious double peaks of plasma resonance absorption, which indicated that the superposition effect of plasma resonance was generated between the monomeric Ag and TiN phases in the system, the electromagnetic field coupling effect was enhanced, so that the local surface plasmon resonance coupling between them was increased, and more SERS "hot spots" were formed on the surface of the film, which was helpful to promote charge transfer, thus the substrate was endowed with more excellent SERS performance. The results confirmed the feasibility of optimizing the electrochemical deposition parameters to modulate the morphology of the composite film and thus improve the performance of SERS substrates, which provide technical support for the preparation of Ag/TiN and other noble metal-semiconductor composite films as SERS substrate materials by electrochemical deposition technology.
  • Application of surface-enhanced Raman spectroscopy in the detection of oxidative stress in cell
    YANG Xingrui, ZHOU Qing, LU Feng
    Chinese Journal of Light Scattering. 2022, 34(4): 306-315. https://doi.org/10.13883/j.issn1004-5929.202204007
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    Purpose: This paper sorted out and summarized the new techniques for cell oxidative stress monitoring by SERS in recent years, providing new ideas for the detection of oxidative stress. Methods: Through reviewing and classifying the literature which related to SERS technology and cell oxidative stress in recent years. Results: SERS probe (or nano-sensor) was used to quantitatively detect the reactive oxygen species, oxidative stress products and oxidase involved in oxidative stress. Conclusion: SERS technology, due to its ultra-high sensitivity and good biocompatibility, can real-time monitor the content changes of various substances in the process of cell oxidative stress in a non-destructive form. At the same time, because the Raman spectrometer is relatively simple, irradiation or laser irradiation can also be added in SERS monitoring, which is of great significance to explore the mechanism of oxidative stress.
  • Density functional theory study on surfaceenhanced Raman spectra of thiamethol
    Zhang Jing-ru, Tang Zhi-bing, Song Ji-zhe, Shi Hao-nan, Meng lu-ping, Liu Guang-qiang
    Chinese Journal of Light Scattering. 2022, 34(4): 316-321. https://doi.org/10.13883/j.issn1004-5929.202204008
    Abstract ( ) Download PDF ( ) Knowledge map Save
    Surface enhanced Raman scattering (SERS) refers to the phenomenon that the Raman scattering signal of some molecules will be significantly enhanced when they are close to or adsorbed on the surface of the substrate. SERS overcomes the weakness of Raman scattering signal intensity, and has been widely used in the fields of environmental detection, catalytic chemistry, organic chemistry and life science. In this paper, quantum chemistry method was used to simulate the SERS spectrum of molecules and study the SERS enhancement mechanism. Using the quantum chemical calculation method of density functional theory, the adsorption behavior and SERS enhanced effect of thiamethol and gold clusters were used to systematically study from the theoretical point of view, and the optimal adsorption position of gold clusters on thiamethol molecules was obtained. Five adsorption models were used to study the interaction between thiametrin-Au4 and gold clusters. The results showed that thiametrin-Au4 was the most stable. Combined with the Raman spectra and results of theoretical calculations, the vibration mode, Raman spectra and SERS spectra of thiametrin molecules were systematically identified by using the graphical function of Gaussview.
  • Study on in situ diagnosis of breast cancer by NIR spectroscopy and machine learning
    SHANG Hui, WU Jinjin, XU Zhibing, WANG Huijie, YIN Jianhua
    Chinese Journal of Light Scattering. 2022, 34(4): 322-327. https://doi.org/10.13883/j.issn1004-5929.202204009
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    Near-infrared (NIR) spectroscopy can characterize the rich structure and composition of deep biological tissue. Machine learning is mainly used for data analysis and mining, which can accurately classify data and extract information. In this study, a self-made NIR spectral probe was used to collect in situ spectra of breast cancer tissues and perform carcinogenesis (spectral) analysis. Four methods, baseline correction (BC), standard normal variable transformation (SNV), 21-point Savitzky-Golay smoothing (1st-2-21SG) and 25-point Savitzky-Golay smoothing (2nd-3-25SG), were used for spectral preprocessing. Machine learning methods, including principal component analysis (PCA), K-nearest neighbor (KNN), Fisher discriminant analysis (FDA) and support vector regression (SVR), were used to classify and discriminate breast cancerous and paracancerous tissues. It was found that the optimal prediction results of PCA-KNN model were based on BC+SNV, and its accuracy, sensitivity and specificity were 88.34%, 98.21% and 76.11%, respectively. The optimal results of PCA-FDA model were based on BC+1st-2-21SG, and the accuracy, sensitivity and specificity were 90.00%, 98.21% and 79.54%, respectively. The optimal results of SVR model were based on BC+2nd-3-25SG, and the accuracy, sensitivity and specificity were 90.00%, 100.00% and 79.55%, respectively. Its’s concluded that machine learning methods combined with NIR spectroscopy can be applied for efficient and accurate diagnosis of breast cancer.
  • A Preliminary Study on the pigments for murals of Xie's folk house in Cangnan of Zhejiang
    ZHANG Peng-hua, ZHANG Jia-chen, TONG Lin-jun, CUI Biao
    Chinese Journal of Light Scattering. 2022, 34(4): 328-332. https://doi.org/10.13883/j.issn1004-5929.202204010
    Abstract ( ) Download PDF ( ) Knowledge map Save
    Dingbutou Xie’s folk house was built in the Xianfeng period of Qing dynasty. The overall style and appearance of Xie's folk house are well preserved, and have high historical and artistic value. The four murals on the outer wall of the wing-room are the most valuable parts, but causing the long-term environmental weathering, the murals have serious damages, which need to be effectively conserved. In order to understand and protect the murals, the following works were completed. Pigment samples were analyzed by a variety of methods that including Microscopic observation, Raman spectrometry, X-ray powder diffraction and scanning electron microscopy-energy dispersive spectrometry. The results show that, botallackite, red ochre, mixed cinnabar and minium pigment and ultramarine were used during painting. This study provided a scientific basis for understanding the original pictures of four murals and carrying out their subsequent protection and utilization.
  • The Spectrum Study of The Surface Pollutants on The Tomb Wall Paintings at Jize County, Hebei Province
    LI Man SHEN Hui-ling
    Chinese Journal of Light Scattering. 2022, 34(4): 333-339. https://doi.org/10.13883/j.issn1004-5929.202204011
    Abstract ( ) Download PDF ( ) Knowledge map Save
    Three Song or Jin Dynasties tombs were unearthed at the archaeological site in Jize County, Handan City. Wall paintings were painted on the inner wall of the tombs, and the surface was covered with a large area of black material. The infrared characteristic peaks of 3382cm-1, 1756cm-1, 1633cm-1, 1393cm-1, 1000cm-1, 869cm-1 were similar to the characteristic absorption peak of humic acid, synthesize the two spectral analysis results, it could be judged to humic acid. The production of humic acid required moist, anoxic and acidic conditions, which were related to the geographical location of Jize County, the tightness of the burial chamber, the acidic micro-environment and the ancient burial customs.
  • Analysis and research on the pigments of Yangshi Lei Yuanmingyuan-Tongleyuan Tangyangmade during the Tongzhi period of the Qing Dynasty
    WANG Keqing, LIU Wei, WANG Xilin
    Chinese Journal of Light Scattering. 2022, 34(4): 340-347. https://doi.org/10.13883/j.issn1004-5929.202204012
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    The Tangyang preserved by the Yangshi Lei family contains rich scientific and artistic value, which is helpful for cross-reference, and comprehensively study the construction system of ancient Chinese architecture from the perspectives of materials, dimensions, styles, and craftsmanship. It can also be used as a reference for ancient architectural design, repair, restoration research, etc. At present, the research of the Tangyang models focus on the interpretation of the relevant historical facts and space of building construction. Relatively speaking, the understanding of Tangyang themselves is not sufficient, in-depth research is still an individual case, and a comprehensive and overall understanding has not yet been formed. Especially in terms of production process, it is still in the preliminary stage of exploration, there is a lack of scientific and systematic in-depth excavation. There are relatively few reports on the scientific analysis of painted pigments in Tangyang samples. There are a wide range of pigments used in the Yuanmingyuan-Tongleyuan Yangshi Lei Tangyang. The recognizable pigments are red, blue, green, white and yellow, which are commonly used in Qing Dynasty architectural painting. Some components fell off from the Tangyang and were scattered around, which need to be resorted. Raman, Micro-FTIR, SEM-EDS and XRD were used to analyze and study the pigments used in the Tangyang. The pigments include both inorganic mineral pigments and organic plant pigments. Researches have shown that the red pigment is cinnabar, the blue pigment is artificial ultramarine, the green pigment is emerald green, the white pigment is calcium carbonate, and the yellow pigment is gamboge. As an organic dye, gamboge is easily degraded by environmental influences. Therefore, it is rare in paper cultural relics. And the research results provide evidence for the application of gamboge in Qing Dynasty paintings. This study also provides an important scientific basis for a detailed understanding of the information status of cultural relics such as materials and processes.
  • Ultra-low frequency Raman spectroscopy of organophosphorus pesticides
    GUO Guang-Sheng, SHEN Yan-Ting, WU Jia-Wei, JIANG Zi-Yu, ZHU Qi-Feng
    Chinese Journal of Light Scattering. 2022, 34(4): 348-354. https://doi.org/10.13883/j.issn1004-5929.202204013
    Abstract ( ) Download PDF ( ) Knowledge map Save
    The P=O and P=S
    groups of organophosphorus pesticides have extremely high Raman activity, so
    the detection of organophosphorus pesticide residues by Raman spectroscopy is a
    very efficient and nondestructive means. However, surface enhanced Raman
    spectroscopy (SERS), which is commonly used at present, is difficult to be
    applied to high precision quantitative pesticide residue detection due to the
    lack of standardized substrate and pretreatment technology. The novel ultra-low
    frequency Raman spectroscopy can effectively detect the low-frequency Raman
    peak (0-500cm<sup>-1</sup>) that is more sensitive to the concentration.
    Therefore, this paper studied the frequency and intensity changes of low
    frequency Raman peaks of two representative organophosphorus pesticides
    chlorpyrifos and trichlorfon at different concentrations, and accurately
    identified each low frequency vibration mode. In addition, we can accurately
    identify the concentration by establishing the dependence of the concentration
    of two types of pesticides on the vibration frequency and intensity. The lowest
    detectable limits of ultralow frequency Raman technique in the detection of
    chlorpyrifos and trichlorfon are 0.012 mg/kg and 0.25 mg/kg respectively, which <a name="_Hlk121747729"></a>basically meet the requirements
    of the national standard, and provides a preliminary and new experimental idea
    for the detection of food pesticides.
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