Journal of Raman Spectroscopy最新文献_第3页

The Structure Dissection of Compacted CeO2/La2O3 Laminates by Spatially Offset Raman Spectroscopy

IF 2.4 3区化学

Journal of Raman Spectroscopy Pub Date : 2024-10-30 DOI: 10.1002/jrs.6744

Yi Hu, Jun Chen, Xinai Liu, Hang Zhong, Jingsong Xu, Jun Chen

{"title":"The Structure Dissection of Compacted CeO2/La2O3 Laminates by Spatially Offset Raman Spectroscopy","authors":"Yi Hu, Jun Chen, Xinai Liu, Hang Zhong, Jingsong Xu, Jun Chen","doi":"10.1002/jrs.6744","DOIUrl":"https://doi.org/10.1002/jrs.6744","url":null,"abstract":"<div>\u0000 \u0000 To tackle the challenge of non-destructively analyzing complex oxide layers formed by atmospheric corrosion on active metals, we investigate the potential of inverse spatially offset Raman spectroscopy (inverse-SORS) to detect corrosion products and elucidate how the spectroscopic features of SORS vary. This study explores the utilization of inverse-SORS technology for longitudinal structural analysis of opaque CeO2/La2O3 laminates, which serve as a proxy for corrosion products. Through a combination of experimental measurements and Monte Carlo simulation, it demonstrates the feasibility of inverse-SORS in non-destructively elucidating the layered structure of these laminates. With increasing the spatial offset of this technology, the Raman intensity ratio of La2O3-to-CeO2 increases from 0.23 to 3.2 and then decreases to 0.27 for the CeO2/La2O3 sample with a 34-μm-thick CeO2 layer under 532-nm excitation, whereas the bottom La2O3 layer is hardly detected when the thickness of the upper La2O3 layer increases to 225 μm. The results reveal that a thinner CeO2 layer facilitates the escape and detection of Raman signals originating from the bottom La2O3 layer, leading to an enhanced La2O3-to-CeO2 signal ratio and a reduced offset at the characteristic peak. The research also sheds light on the intricate interplay among multiple variables, such as spatial offset, laser wavelength, the corresponding absorption factor, the thickness of the oxide layer, and the compactness. These insights suggest that SORS is a valuable and non-destructive approach for dissecting the structures of highly turbid composites of metallic compounds and semi-quantitatively deducing their thickness.\u0000 </div>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"56 1","pages":"12-24"},"PeriodicalIF":2.4,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143121432","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Experimental Determination of the Temperature-Dependent Broadening Effect of Water Vapour on the S-Branch Raman Linewidths of Nitrogen

IF 2.4 3区化学

Journal of Raman Spectroscopy Pub Date : 2024-10-30 DOI: 10.1002/jrs.6742

Henry Misoi, Jonas I. Hölzer, Thomas Seeger

{"title":"Experimental Determination of the Temperature-Dependent Broadening Effect of Water Vapour on the S-Branch Raman Linewidths of Nitrogen","authors":"Henry Misoi, Jonas I. Hölzer, Thomas Seeger","doi":"10.1002/jrs.6742","DOIUrl":"https://doi.org/10.1002/jrs.6742","url":null,"abstract":"This work reports the S-branch Raman linewidths of N2 broadened by H2O vapour at temperatures 870–1900 K determined using the picosecond time-resolved pure rotational coherent anti-Stokes Raman scattering (RCARS) approach. The coherent dephasing time constant of nitrogen in a binary mixture was determined from the time trace fitting of the RCARS signal. Raman linewidths of N2 for four different binary mixture compositions up to 20% H2O were obtained for each temperature and the N2-H2O broadening coefficient was determined. The decay of nitrogen broadened by water vapour is faster than that of self-broadened nitrogen for all temperatures leading to a higher Raman linewidth. Respectively, the S-branch Raman linewidths of N2-H2O deviate significantly in magnitude and slope from the Q-branch Raman linewidth calculated by the modified energy gap (MEG) law. Therefore, taking into account the broadening effect of water molecules in nitrogen has the potential to significantly improve thermometry and species concentration determination. The determined S-branch Raman linewidths and broadening coefficient will therefore find application in combustion and reactive flow diagnostics.","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"56 1","pages":"57-66"},"PeriodicalIF":2.4,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jrs.6742","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143121433","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Raman Thermometry for Temperature Assessment of Inorganic Transformations During Microwave Heating

IF 2.4 3区化学

Journal of Raman Spectroscopy Pub Date : 2024-10-28 DOI: 10.1002/jrs.6743

John Jamboretz, Christina S. Birkel

{"title":"Raman Thermometry for Temperature Assessment of Inorganic Transformations During Microwave Heating","authors":"John Jamboretz, Christina S. Birkel","doi":"10.1002/jrs.6743","DOIUrl":"https://doi.org/10.1002/jrs.6743","url":null,"abstract":"<div>\u0000 \u0000 Microwave heating is an intriguing method for the synthesis of inorganic solids offering a variety of advantages over conventional furnace heating, such as fast heating and cooling rates as well as volumetric and selective heating of precursors. However, there are many open questions regarding this “black-box” process, and insights into the effect of microwave radiation on different types of solids are generally missing. In situ Raman spectroscopy is a powerful technique to unravel chemical transformations and identify intermediate species during microwave solid-state syntheses. A major challenge is the temperature measurement under microwave conditions because (metallic) thermocouples cannot be used and optical pyrometry has significant drawbacks. In contrast, Raman thermometry is a viable method that relies on the temperature-induced shift of Raman signals. Here, we use this method to estimate the temperature during microwave heating of a model system (titania) that undergoes a phase transition at temperatures >800°C. The estimation is derived from a flexible double exponential calibration function applied to Raman spectroscopic peak shifts in the temperature-resolved furnace heating data, which was found to describe two titania modes (one anatase and one rutile) extremely well. Based on a detailed error and uncertainty analysis, we suggest options to further optimize Raman thermometry for use in high-temperature microwave heating conditions.\u0000 </div>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"56 1","pages":"49-56"},"PeriodicalIF":2.4,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143120595","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

The Stability of Manganese Oxides Under Laser Irradiation During Raman Analyses: I. Compact Versus Channel Structures

IF 2.4 3区化学

Journal of Raman Spectroscopy Pub Date : 2024-10-22 DOI: 10.1002/jrs.6740

Simone Bernardini, Giancarlo Della Ventura, Boriana Mihailova, Armida Sodo

{"title":"The Stability of Manganese Oxides Under Laser Irradiation During Raman Analyses: I. Compact Versus Channel Structures","authors":"Simone Bernardini, Giancarlo Della Ventura, Boriana Mihailova, Armida Sodo","doi":"10.1002/jrs.6740","DOIUrl":"https://doi.org/10.1002/jrs.6740","url":null,"abstract":"Manganese oxides/oxyhydroxides (MnOx) are based on Mnn+O6 and Mnn+O4 polyhedra arranged such as to form compact, channel or layered structures. In geology, they are precious archives of past redox conditions for palaeoclimatic reconstructions; in material sciences, they are used for a variety of applications, from pigments to environmental remediation and energy storage. Thus, the fast, remote and non-destructive identification of MnOx is critical in several disciplines. Micro-Raman spectroscopy is often used for this purpose, although a systematic characterization of their stability under the laser beam is still lacking. In this work, we present our results on the behaviour of the most common MnOx having compact and channel structures when a 532-nm laser with intensity between ~23 μW/μm2 and ~36.8 mW/μm2 is used. The compact structures of manganosite (NaCl-like) and hausmannite (spinel-like) are stable up to ~36.8 mW/μm2. The stability of oxides with channel structures depends on channel size, charge of channel cations and valence state of Mn. Hausmannite is the final degradation product of all MnOx with channel structures, irrespective of the starting phase. Pyrolusite, manganite, hollandite and romanéchite are relatively stable under the laser beam, and the transition to the spinel structure occurs above 2.5 mW/μm2 while the degradation of cryptomelane and todorokite starts ~226 μW/μm2. The analysis of MnOx thus needs very accurate experimental conditions to avoid misleading and incorrect phase identifications. Based on our data, we propose an analytical protocol for a proper characterization of these minerals via Raman spectroscopy.","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"56 1","pages":"95-112"},"PeriodicalIF":2.4,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jrs.6740","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143118403","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Angle-Resolved Polarized Raman Study of Layered Cr2Se3

IF 2.4 3区化学

Journal of Raman Spectroscopy Pub Date : 2024-10-13 DOI: 10.1002/jrs.6741

Mohammed A. Irziqat, Hiruni Weerahennedige, Dinushika Vithanage, Zane Ronau, Hansaka Weerarathne, Naveen Weerasekera, Gamini Sumanasekera, Ming Yu, Jacek B. Jasinski

{"title":"Angle-Resolved Polarized Raman Study of Layered Cr2Se3","authors":"Mohammed A. Irziqat, Hiruni Weerahennedige, Dinushika Vithanage, Zane Ronau, Hansaka Weerarathne, Naveen Weerasekera, Gamini Sumanasekera, Ming Yu, Jacek B. Jasinski","doi":"10.1002/jrs.6741","DOIUrl":"https://doi.org/10.1002/jrs.6741","url":null,"abstract":"<div>\u0000 \u0000 The polarization-resolved Raman spectra of two-dimensional Cr2Se3 synthesized via chemical vapor deposition (CVD) and chemical vapor transport (CVT) techniques were investigated in detail. The samples were characterized using X-ray diffraction (XRD), transmission electron microscopy (TEM), and energy-dispersive X-ray spectroscopy (EDS). A distinct polarization dependence was observed in the Raman intensity of all the Cr-Cr, Cr-Se, and Se-Se modes in both samples. The observed angle-dependent Raman intensities of each peak could be related to the crystal structure-specific Raman tensor. XRD results of the bulk Cr2Se3 sample synthesized via CVT confirm its trigonal crystal structure, and the Raman peaks can be fitted using the Raman tensors for the 𝐴𝑔 and 𝐸𝑔 modes for both the parallel and crossed polarizations. However, for the Cr2Se3 samples directly grown on Si/SiO2 substrates by CVD, it was necessary to assume the triclinic crystal structure in order to explain the polarized Raman dependence of all the peaks in both parallel and crossed polarization directions. This is the first experimental result suggesting the existence of triclinic Cr2Se3 crystal structure, which has been theoretically predicted in the Materials Project database.\u0000 </div>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"56 1","pages":"84-94"},"PeriodicalIF":2.4,"publicationDate":"2024-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143114640","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Matrix Isolation FT-Raman Study of Acetylacetone D2-Acetylacetone and Hexafluoroacetylacetone

IF 2.4 3区化学

Journal of Raman Spectroscopy Pub Date : 2024-10-04 DOI: 10.1002/jrs.6738

Alejandro Gutiérrez-Quintanilla, Rasa Platakyte, Michèle Chevalier, Claudine Crépin, Justinas Ceponkus

引用次数: 0

Rapid and Accurate Identification of Dyes on Ancient Textiles by SERS With a Negligibly Invasive Approach 可忽略入侵的SERS快速准确识别古代纺织品上的染料

IF 2.4 3区化学

Journal of Raman Spectroscopy Pub Date : 2024-10-01 DOI: 10.1002/jrs.6737

Xiao-Han Xi, Yun Zhang, Sen Yan, Ping-Shi Wang, Hao Ma, Meng Ren, Guo-Kun Liu, Yong Lei, Bin Ren, Xiang Wang

{"title":"Rapid and Accurate Identification of Dyes on Ancient Textiles by SERS With a Negligibly Invasive Approach","authors":"Xiao-Han Xi, Yun Zhang, Sen Yan, Ping-Shi Wang, Hao Ma, Meng Ren, Guo-Kun Liu, Yong Lei, Bin Ren, Xiang Wang","doi":"10.1002/jrs.6737","DOIUrl":"https://doi.org/10.1002/jrs.6737","url":null,"abstract":"<div>\u0000 \u0000 Nowadays, surface-enhanced Raman spectroscopy (SERS) has become a powerful tool for rapidly detecting and analyzing textile cultural relics due to its ability to provide chemical information with single-molecule sensitivity. However, preserving a high level of detection sensitivity while avoiding sample damage remains a persistent challenge. In this work, we developed a SERS approach with both microextraction and detection functions. The alcohol–water droplet with iodide-modified Au nanoparticles (AuIMNPs) is directly dropped on the textile, where dyes strongly bound on textiles can be extracted by ethanol (EtOH). As a result, the sample can be well preserved from being damaged. In particular, the volatility of EtOH allows the molecules to be captured in the hot spots through the capillary effect during droplet evaporation, resulting in a dramatic increase in Raman signal intensity. This highly sensitive strategy can be used to measure dyes in plant extracts and mock-up textiles. Furthermore, the capability of SERS to provide fingerprint information allows us to distinguish different dyes in overdyeing textiles. Eventually, this approach is successfully applied to identify dyes of authentic ancient Chinese textiles. This rapid, universal, and negligibly invasive approach provides a powerful way to study textile cultural relics.\u0000 </div>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"55 12","pages":"1281-1288"},"PeriodicalIF":2.4,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142851421","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Characterization of Serum Biochemical Changes in Response to Alcohol Consumption Using FT-Raman Spectroscopy

IF 2.4 3区化学

Journal of Raman Spectroscopy Pub Date : 2024-10-01 DOI: 10.1002/jrs.6739

Hasan Mırsal, Zeynep Ceylan, Devrim Sarıbal, Joseph Cebulski, Joanna Depciuch, Zozan Guleken

{"title":"Characterization of Serum Biochemical Changes in Response to Alcohol Consumption Using FT-Raman Spectroscopy","authors":"Hasan Mırsal, Zeynep Ceylan, Devrim Sarıbal, Joseph Cebulski, Joanna Depciuch, Zozan Guleken","doi":"10.1002/jrs.6739","DOIUrl":"https://doi.org/10.1002/jrs.6739","url":null,"abstract":"Alcohol is one of the most widely used stimulants globally, with increasing consumption rates annually. Prolonged alcohol consumption leads to significant physiological and neurological changes, potentially resulting in various diseases, which could be detect in serum. Therefore, FT-Raman spectroscopy was used to measure chemical changes in the serum of heavy drinkers, and these results were compared with the serum composition of a control group of non-drinkers. Obtained results showed a significant increase in lipids and a decrease in the amide/lipid ratio after alcohol administration. Additionally, higher amide III/amide II and lower amide II/amide I ratios were observed in the serum of alcohol-addicted patients. These shifts of 892, 966, 1286, 1459 and 2940 cm−1 peaks indicate alterations in the protein-lipid balance due to alcohol consumption. Principal component analysis (PCA) was employed to further analyze the spectral data, with the first three principal components accounting for 95.36% of total data variability. A Bayesian-optimized k-nearest neighbor (BO-KNN) model was applied for classification. The optimal hyperparameters—two neighbors, correlation distance metric, and squared inverse distance weight—were determined after seven iterations, resulting in a remarkably low classification error of 0.0384. The BO-KNN model achieved training and test accuracies of 95.92% and 90.48%, respectively. Receiver operating characteristic (ROC) analysis showed an area under the curve (AUC) of 1.00 for the training set and 0.90 for the test set, demonstrating the model's high precision and robustness. In conclusion, FT-Raman spectroscopy effectively revealed significant chemical changes in the serum of alcohol-addicted individuals, providing valuable insights into the biochemical impact of alcohol consumption.","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"56 1","pages":"25-31"},"PeriodicalIF":2.4,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jrs.6739","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143110325","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Unraveling Stacking Transitions in Twisted Bilayer Graphene: Insights From Intralayer and Interlayer Processes

IF 2.4 3区化学

Journal of Raman Spectroscopy Pub Date : 2024-09-26 DOI: 10.1002/jrs.6735

M. Souibgui

引用次数: 0

Microstructural Study of the Coloring Variation of Chinese Sauce Glaze Replications 中国酱釉仿制品着色变化的显微结构研究

IF 2.4 3区化学

Journal of Raman Spectroscopy Pub Date : 2024-09-23 DOI: 10.1002/jrs.6736

Tian Wang, Senwei Xia, Zhao Ren, Clement Hole, Fen Wang, Jianfeng Zhu, Hongjie Luo, Qiang Li, Meihong Liao, Philippe Sciau

{"title":"Microstructural Study of the Coloring Variation of Chinese Sauce Glaze Replications","authors":"Tian Wang, Senwei Xia, Zhao Ren, Clement Hole, Fen Wang, Jianfeng Zhu, Hongjie Luo, Qiang Li, Meihong Liao, Philippe Sciau","doi":"10.1002/jrs.6736","DOIUrl":"https://doi.org/10.1002/jrs.6736","url":null,"abstract":"<div>\u0000 \u0000 Sauce glazed wares of Yaozhou kilns are famous for their high gloss and distinctive glaze color palette varying from yellowish-brown to reddish-brown. In this work, sauce glazes were successfully replicated using the traditional technology of Yaozhou kilns. Micro-Raman spectroscopy, combined with optical microscopy, scanning electron microscopy, x-ray fluorescence, and reflective spectroscopy, was systematically applied to analyze the chemical composition, nature and distribution of crystals, and the coloration of the glazes. The results show that the yellowish-brown glaze is mainly original from dendritic ε-Fe2O3 crystals, whereas the reddish-brown color is mainly derived from dendritic hematite crystals. Such dendritic structure could account for slightly color variations of the glaze surface observed in different angles, which also reported in Japanese Bizen ceramics. The principal component analysis (PCA) was further applied to study the Raman spectra of these iron oxides. The PCA results effectively indicates the structural disorders of these crystals introduced by ion substitutions. These substitutions could not only stabilize the crystals but also darken the crystals color. Besides, high Mg in the raw materials was found to benefit the growth of magnesioferrite crystals. The relative low level of Fe2O3, high level of SiO2, and CaO may relate to the formation of ε-Fe2O3 crystals.\u0000 </div>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"55 12","pages":"1255-1265"},"PeriodicalIF":2.4,"publicationDate":"2024-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142851568","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0