Journal of Raman Spectroscopy最新文献

{"title":"Operando Raman Spectroscopic Studies on Propane Dehydrogenation Over Co-Based Catalysts","authors":"Jana Weiß,&nbsp;Qiyang Zhang,&nbsp;Evgenii V. Kondratenko,&nbsp;Christoph Kubis","doi":"10.1002/jrs.70158","DOIUrl":"https://doi.org/10.1002/jrs.70158","url":null,"abstract":"<p>The development of cost-effective and eco-compatible nonnoble metal oxide catalysts for large-scale propene production via nonoxidative propane dehydrogenation (PDH) is a key topic of current research in heterogeneous catalysis. Cobalt-based catalysts show remarkable catalytic performance and are promising alternatives to industrially established platinum- or chromium oxide-based catalyst systems. The formation of coke deposits under the reaction conditions has a significant influence on their performance. Time-resolved operando Raman spectroscopic experiments have been performed during the PDH reaction using a catalyst system containing 3-wt.% Co on silicalite-1 as a support (3Co/S-1) to elucidate the role of carbon-containing species. Three stages during the PDH process were identified. During the initial 5 min on propane stream, propane is preferentially oxidized to carbon oxides and water. This indicates the removal of lattice oxygen from Co₃O₄, whereby this species is reduced to metallic cobalt (Co⁰). With increasing time on propane stream, the formation of C₁–C₂ hydrocarbons was observed, pointing to the occurrence of cracking and deep dehydrogenation reactions of propane. Subsequently, intense G and D bands appeared in the Raman spectrum due to the formation of carbon deposits. Simultaneously, there was a substantial enhancement in propene formation, which indicates that carbon-containing species are necessary for the selective dehydrogenation of propane to propene. The catalyst showed high activity and durable operation in a series of seven dehydrogenation/reoxidation cycles under relevant conditions. The induction period observed for the fresh catalyst was shortened for the catalyst system in course of the PDH/reoxidation cycles.</p>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"57 8","pages":"1510-1521"},"PeriodicalIF":2.2,"publicationDate":"2026-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jrs.70158","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148662803","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}

{"title":"SERS-Based Live-Cell Metabolomics for Spatiotemporal Profiling of Metabolic Flux","authors":"Biqing Chen,&nbsp;Jiayin Gao,&nbsp;Haizhu Sun,&nbsp;Yinghan Zhao,&nbsp;Yan Liu,&nbsp;Xiaohong Qiu,&nbsp;Yang Li","doi":"10.1002/jrs.70149","DOIUrl":"https://doi.org/10.1002/jrs.70149","url":null,"abstract":"<div>\u0000 \u0000 <p>Conventional approaches to live-cell metabolomics face key barriers: Destructive methods like mass spectrometry lose spatiotemporal resolution, while noninvasive techniques are limited by phototoxicity and probe dependence. These challenges hinder the exploration of tumor metabolic reprogramming, neurodegeneration, and metabolism-targeted therapies. Surface-enhanced Raman scattering (SERS), with label-free detection, single-molecule sensitivity, and subcellular resolution, offers a promising solution. Recent advances show its capacity to monitor metabolite gradients, redox dynamics (NADH/NAD⁺), and enzyme spatial distribution, as well as to visualize compartmentalized metabolism through super-resolution imaging. This review highlights these achievements and introduces an integrated framework of molecular recognition, dynamic tracking, mechanistic insight, and translational application. Finally, we outline future opportunities combining SERS with organ-on-chip models and artificial intelligence, underscoring its potential in personalized medicine and in situ metabolic regulation. Overall, SERS-based metabolomics represents a methodological breakthrough enabling cross-scale analysis of metabolic flux in health and disease.</p>\u0000 </div>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"57 8","pages":"1419-1452"},"PeriodicalIF":2.2,"publicationDate":"2026-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148662860","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}

{"title":"Development and Initial Evaluation of a SERS-Based RVFV Assay","authors":"T. Domfe,&nbsp;N. Mhlanga,&nbsp;L. Sikhwivhilu","doi":"10.1002/jrs.70155","DOIUrl":"https://doi.org/10.1002/jrs.70155","url":null,"abstract":"<div>\u0000 \u0000 <p>Rift Valley fever virus (RVFV), a WHO Blueprint Priority Pathogen, continues to cause major health and economic losses in endemic regions, yet current molecular and serological diagnostics remain inaccessible or insufficiently sensitive in many settings. Surface-enhanced Raman spectroscopy (SERS) offers high sensitivity and field-adaptable potential. This study aimed to develop a SERS-based RVFV detection assay by combining theoretical modelling with experimental validation. A hybrid approach integrating Schrödinger-bioluminate and density functional theory (DFT) simulations was used to model molecular interactions within the SERS immunoprobe. Experimentally, a sandwich-type SERS immunoassay was constructed by immobilising recombinant RVFV nucleocapsid protein (rnp) on a SERS-active substrate to capture RVFV antibodies. A complementary AuNP/spa/4-MBA immunoprobe was synthesised to bind captured antibodies and generate a measurable Raman signal. The immunoprobe exhibited a detection limit of 1 μg/mL for RVFV antibodies, demonstrating higher sensitivity than previously developed half-strip lateral flow assay. Theoretical predictions of key 4-MBA Raman vibrational modes showed good consistency with experimental spectra, supporting the validity of the simulation-guided design. The assay successfully established the conceptual feasibility of an RVFV-specific SERS diagnostic platform. This work presents the first SERS-based detection strategy tailored for RVFV and the first to integrate computational modelling with assay development for this pathogen. Although preliminary, the hybrid theoretical–experimental approach provides a foundation for further optimisation, incorporation of AI-based spectral analysis and future deployment using miniaturised field-portable Raman devices.</p>\u0000 </div>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"57 8","pages":"1407-1418"},"PeriodicalIF":2.2,"publicationDate":"2026-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148662567","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}

{"title":"Raman Spectral Characteristics and Vibrational Mechanism Analysis of Layered Molybdenum Disulfide","authors":"Wang Fang-yuan,&nbsp;Bao Zhe-lei,&nbsp;Ye Song,&nbsp;Li Shu,&nbsp;Zhang Zi-yang,&nbsp;Wang Xin-qiang","doi":"10.1002/jrs.70151","DOIUrl":"https://doi.org/10.1002/jrs.70151","url":null,"abstract":"<div>\u0000 \u0000 <p>Molybdenum disulfide (MoS₂), a prototypical semiconductor of the transition metal dichalcogenide (TMD) family, finds extensive applications in various fields such as optical sensing, electronics, photocatalysis, and flexible substrates. When subjected to long-term storage or improper preservation, MoS₂ may undergo oxidation, adsorption of contaminants, structural degradation, or interlayer re-agglomeration, which can significantly compromise its performance. This study employs experimental detection via Raman spectroscopy, supplemented by computational analysis using the quantum chemistry simulation software Gaussian 16W. Firstly, three experimental samples are analyzed using a Raman spectrometer. Secondly, the cluster structures of monolayer, 2H-phase, and 1T-phase layered MoS₂ are modelled and computed using Gaussian 16W. Finally, spectral characteristics and vibrational mechanisms are analyzed. Experimental results indicate that when structural damage occurs in MoS₂, its characteristic peak near 411 cm⁻¹ exhibits an increased FWHM, peak splitting, and a gradual blue shift, accompanied by peak broadening in the low-wavenumber region. Theoretical calculations reveal that these spectral evolution features originate from changes in the interlayer stacking modes and an increase in lattice disorder within MoS₂. This work provides a new criterion for the non-destructive and rapid monitoring of the layer count in MoS₂, and also offers valuable insights for the Raman spectroscopic detection of structural damage in other layered materials.</p>\u0000 </div>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"57 8","pages":"1367-1373"},"PeriodicalIF":2.2,"publicationDate":"2026-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148662570","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}

{"title":"Strain Imaging of GaAs by Stimulated Raman Scattering Microscopy","authors":"Yuki Sano,&nbsp;Yasuyuki Ozeki","doi":"10.1002/jrs.70147","DOIUrl":"https://doi.org/10.1002/jrs.70147","url":null,"abstract":"<p>Gallium arsenide (GaAs) is a key compound semiconductor used in high-speed and optoelectronic devices, where strain and defect characterization are essential for improving device reliability and performance. However, the conventional approach based on spontaneous Raman spectroscopy suffers from inherently low signal intensity, which severely limits measurement speed. Although stimulated Raman scattering (SRS) offers orders-of-magnitude signal enhancement and faster imaging, the excitation wavelengths commonly used in conventional setups (typically below 1 \u0000<span></span><math>\u0000 <mi>μ</mi></math>m) are strongly absorbed, hindering SRS signal generation. Here, we overcome this limitation by employing telecom-wavelength SRS microscopy. Clear SRS spectra corresponding to the longitudinal optical (LO) phonon mode near 292 cm\u0000<span></span><math>\u0000 <msup>\u0000 <mrow></mrow>\u0000 <mrow>\u0000 <mo>−</mo>\u0000 <mn>1</mn>\u0000 </mrow>\u0000 </msup></math> were successfully obtained. The technique enables detection of phonon peak shifts with &lt; 0.2 cm\u0000<span></span><math>\u0000 <msup>\u0000 <mrow></mrow>\u0000 <mrow>\u0000 <mo>−</mo>\u0000 <mn>1</mn>\u0000 </mrow>\u0000 </msup></math> spectral precision and visualization of local phonon frequency variations associated with surface damage. Compared with conventional Raman mapping, the present method achieves more than two orders of magnitude higher measurement throughput. These results establish telecom-wavelength SRS microscopy as a promising and versatile tool for nondestructive characterization of GaAs.</p>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"57 8","pages":"1387-1391"},"PeriodicalIF":2.2,"publicationDate":"2026-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jrs.70147","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148662909","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}

{"title":"Managing Spectral Intensity Variations With In-Line Fiber-Optic High-Volume Noncontact Raman Probes: A Strategy Exploration","authors":"Tiril Aurora Lintvedt,&nbsp;Petter Vejle Andersen,&nbsp;Jens Petter Wold,&nbsp;Nils Kristian Afseth","doi":"10.1002/jrs.70160","DOIUrl":"https://doi.org/10.1002/jrs.70160","url":null,"abstract":"&lt;p&gt;Noncontact fiber-optic Raman probes are increasingly deployed in industrial environments, where variations in laser power and working distance can compromise quantitative performance. We investigated the stability of partial least squares regression under combined changes in laser power (200–450 mW) and working distance (5–30 cm), comparing intensity-correction strategies that preserve absolute intensity related to absolute concentration with approaches that suppress it. The effect was discussed in terms of absolute fat concentration measurements and compared with the relative concentration measurement of fatty acid (FA) 18:1 expressed as % of fat. Overall, both correction strategies yielded comparable slope and variance errors, with bias emerging as the primary distinction. Laser power fluctuations were effectively corrected using sapphire-based normalization or other methods suppressing intensity variations (\u0000&lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;msub&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mi&gt;b&lt;/mi&gt;\u0000 &lt;mi&gt;i&lt;/mi&gt;\u0000 &lt;mi&gt;a&lt;/mi&gt;\u0000 &lt;mi&gt;s&lt;/mi&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mi&gt;f&lt;/mi&gt;\u0000 &lt;mi&gt;a&lt;/mi&gt;\u0000 &lt;mi&gt;t&lt;/mi&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;/msub&gt;\u0000 &lt;mo&gt;∈&lt;/mo&gt;\u0000 &lt;mo&gt;[&lt;/mo&gt;\u0000 &lt;mo&gt;−&lt;/mo&gt;\u0000 &lt;mn&gt;0&lt;/mn&gt;\u0000 &lt;mo&gt;.&lt;/mo&gt;\u0000 &lt;mn&gt;2&lt;/mn&gt;\u0000 &lt;mo&gt;%&lt;/mo&gt;\u0000 &lt;mo&gt;,&lt;/mo&gt;\u0000 &lt;mn&gt;0&lt;/mn&gt;\u0000 &lt;mo&gt;.&lt;/mo&gt;\u0000 &lt;mn&gt;0&lt;/mn&gt;\u0000 &lt;mo&gt;%&lt;/mo&gt;\u0000 &lt;mo&gt;]&lt;/mo&gt;&lt;/math&gt; and \u0000&lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;msub&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mi&gt;b&lt;/mi&gt;\u0000 &lt;mi&gt;i&lt;/mi&gt;\u0000 &lt;mi&gt;a&lt;/mi&gt;\u0000 &lt;mi&gt;s&lt;/mi&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mi&gt;F&lt;/mi&gt;\u0000 &lt;mi&gt;A&lt;/mi&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;/msub&gt;\u0000 &lt;mo&gt;∈&lt;/mo&gt;\u0000 &lt;mo&gt;[&lt;/mo&gt;\u0000 &lt;mn&gt;0&lt;/mn&gt;\u0000 &lt;mo&gt;.&lt;/mo&gt;\u0000 &lt;mn&gt;0&lt;/mn&gt;\u0000 &lt;mo&gt;%&lt;/mo&gt;\u0000 &lt;mo&gt;,&lt;/mo&gt;\u0000 &lt;mn&gt;0&lt;/mn&gt;\u0000 &lt;mo&gt;.&lt;/mo&gt;\u0000 &lt;mn&gt;4&lt;/mn&gt;\u0000 &lt;mo&gt;%&lt;/mo&gt;\u0000 &lt;mo&gt;]&lt;/mo&gt;&lt;/math&gt;). Working distance effects were nonlinear and required dedicated compensation. We demonstrated the potential of using nitrogen signals from the air for working distance corrections in bulk fat measurements (\u0000&lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;mi&gt;b&lt;/mi&gt;\u0000 &lt;mi&gt;i&lt;/mi&gt;\u0000 &lt;mi&gt;a&lt;/mi&gt;\u0000 &lt;msub&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mi&gt;s&lt;/mi&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mi&gt;f&lt;/mi&gt;\u0000 &lt;mi&gt;a&lt;/mi&gt;\u0000 &lt;mi&gt;t&lt;/mi&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;/msub&gt;\u0000 &lt;mo&gt;∈&lt;/mo&gt;\u0000 &lt;mo&gt;[&lt;/mo&gt;\u0000 &lt;mo&gt;−","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"57 8","pages":"1325-1338"},"PeriodicalIF":2.2,"publicationDate":"2026-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jrs.70160","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148662800","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}

{"title":"Structure of Carbon Fibers With Both High Strength and High Modulus Prepared From Wet-Spinning Polyacrylonitrile Fibers","authors":"Xuefei Wang,&nbsp;Dacheng Wang,&nbsp;Junjun Zhong,&nbsp;Jianhai Zhi,&nbsp;Lu Jin,&nbsp;Yingying Li,&nbsp;Shuixin Yu,&nbsp;Xin Qian,&nbsp;Yonggang Zhang","doi":"10.1002/jrs.70145","DOIUrl":"https://doi.org/10.1002/jrs.70145","url":null,"abstract":"<div>\u0000 \u0000 <p>Because of their superior mechanical properties, carbon fibers are widely used as reinforcement material for the matrix. Carbon fibers with both high strength and high modulus are proposed to grant the composite high strength and high modulus simultaneously. Carbon fibers with a tensile modulus of 330–390 GPa and a tensile strength exceeding 5.0 GPa were successfully fabricated through continuous preoxidation, carbonization, and graphitization of wet-spun polyacrylonitrile fibers. Raman spectroscopy was used to analyze the carbon structure of the fibers. The results showed that the tensile modulus was strongly correlated with the width of the G band, while the tensile strength was mainly influenced by the intensity of the D band. Furthermore, the elongation at break was closely associated with the width of both D and G bands as well as the D band intensity. The increase in these Raman parameters reflected a higher degree of structural disorder, which contributed to a tougher carbon matrix and thereby enhanced the elongation at break. The carbon fiber exhibited graphitic crystallites with <i>Lc</i> values of 2.0–2.4 nm and <i>La</i> values of 5.0–5.8 nm. Microstructural analysis revealed that the fibers consisted of small graphitic crystallites dispersed within a disordered carbon matrix. Adjacent basic structural units were interconnected via continuous carbon layers, contributing to the material's relatively high tensile strength. These findings establish a fundamental structure–property relationship, offering critical insights for the design of next-generation high-performance carbon fibers.</p>\u0000 </div>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"57 8","pages":"1339-1349"},"PeriodicalIF":2.2,"publicationDate":"2026-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148662412","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}

{"title":"Raman Spectral Signal Processing and Imaging Enhancement Through a Hybrid ASairPLS-EEMD Algorithm","authors":"Wenzhuo Wang,&nbsp;Jiayi Wan,&nbsp;Hanyu Zhou,&nbsp;Beibei Zhang,&nbsp;Lei Liu,&nbsp;Xia Huang,&nbsp;Ming Li","doi":"10.1002/jrs.70156","DOIUrl":"https://doi.org/10.1002/jrs.70156","url":null,"abstract":"<div>\u0000 \u0000 <p>This study proposed and validated a hybrid Raman spectral processing framework that couples an adaptive segment adaptive iteratively reweighted penalized least squares (ASairPLS) baseline algorithm with ensemble empirical mode decomposition (EEMD). The integrated design targets the simultaneous suppression of baseline drift and noise interference in raw Raman spectra, enabling a more reliable analysis of biologically relevant samples. Within the framework, ASairPLS partitions the spectrum and performs tailored baseline estimation for each segment, leading to significant improvements in background removal across complex spectral intervals. Additionally, EEMD decomposes the signal into multiple frequency components, facilitating the isolation of noise from essential spectral structures. Raman measurements on U-87 MG cells confirmed the effectiveness of the combined strategy. Spectra collected with an integration time of 1 s after processing achieved a signal intensity and signal-to-noise ratio (SNR) comparable to those obtained from 5-s acquisitions. For imaging tasks, the method enabled 0.1-s Raman images to reach SNR and spatial distribution clarity equivalent to those of 0.5-s images. Collectively, the proposed ASairPLS–EEMD framework offers a robust and efficient solution for analyzing Raman spectra under low SNR conditions and complex baseline fluctuations, thereby strengthening the practical utility of rapid Raman detection and imaging.</p>\u0000 </div>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"57 8","pages":"1453-1462"},"PeriodicalIF":2.2,"publicationDate":"2026-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148662569","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}

{"title":"Reidite Formation From Zircon Subjected to 20, 40, and 60 GPa Shock Experiments","authors":"Dmitry A. Zamyatin,&nbsp;Elizaveta Kovaleva","doi":"10.1002/jrs.70159","DOIUrl":"https://doi.org/10.1002/jrs.70159","url":null,"abstract":"<p>The deformation microstructures in shocked zircon are a key indicator of the shock conditions of hypervelocity impact events. However, calibration of these conditions using features formed in a nonequilibrium process is an extremely difficult task, resulting in large uncertainties. In the present study, we revisited products of shock experiments with zircon (20, 40, and 60 GPa), treated and studied by H. Leroux and coauthors in 1999. We applied new high-resolution techniques such as electron backscatter diffraction (EBSD) mapping and Raman spectroscopy mapping, which are structure-sensitive methods and allow for unambiguous phase identification. We demonstrate that the three stages of shock wave-induced structural changes of zircon are as follows: (I) At 20 GPa, a mild degree of structural damage and cathodoluminescence (CL) dark- and bright-oriented planar lamellae are developed, without the formation of reidite; (II) at 40 GPa, a moderate structural damage is observed, and crystallographically controlled reidite appears (up to 5 vol.%), being associated with CL-bright zircon zones; and (III) at 60 GPa, CL bright moderately damaged zircon with oriented lamellar reidite coexists with band amorphous ZrSiO₄ (up to 50 vol.%), associated with patchy nonoriented reidite mixed with zircon nanophases. Bulk amorphous ZrSiO₄ does not contain reidite. The present work highlights that the formation of reidite is preceded by structural damage or shock amorphization of zircon and is induced by shock heating. The phase transition occurs by a reconstructive mechanism. Furthermore, the Raman spectral parameters of zircon were found to depend on the shock pressure experienced by zircon, offering a cost-effective shock geobarometry tool.</p>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"57 8","pages":"1392-1406"},"PeriodicalIF":2.2,"publicationDate":"2026-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jrs.70159","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148662783","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}

{"title":"Quantitative Correlation Between Raman D′ Band Characteristics and Texture Fragmentation in Thermally Oxidized Graphite Using a Boundary Intersection Descriptor","authors":"Kamal Kayed,&nbsp;Hiba Abdalrahman","doi":"10.1002/jrs.70150","DOIUrl":"https://doi.org/10.1002/jrs.70150","url":null,"abstract":"<div>\u0000 \u0000 <p>Establishing a direct and quantitative link between microstructural features and spectroscopic signatures remains a key challenge in the characterization of graphitic materials. In this work, thermally oxidized high-purity graphite is used as a model system to investigate the relationship between Raman spectral features and microstructural fragmentation revealed by field-emission scanning electron microscopy (FESEM). Controlled oxidative thermal treatment in air was applied to induce structural disorder while preserving the overall graphitic phase, as confirmed by X-ray diffraction (XRD).</p>\u0000 <p>A line-intercept–based boundary intersection descriptor (BID) was introduced to quantify microstructural fragmentation from FESEM images in a consistent and reproducible manner. Raman spectroscopy revealed a progressive evolution of the defect-related D' band with increasing treatment severity. Among the investigated Raman metrics, the full width at half maximum (FWHM) of the D' band exhibited a strong and systematic correlation with BID, whereas intensity- and area-based ratios showed a weaker and less consistent dependence on microstructural fragmentation.</p>\u0000 <p>The combined analysis demonstrates that D'-band linewidth broadening provides a sensitive and physically meaningful spectroscopic probe of in-plane disorder associated with flake fragmentation and boundary density. This study highlights the advantage of linewidth-based Raman descriptors over conventional intensity metrics and establishes a framework for correlating Raman spectroscopy with electron microscopy in graphitic and other layered materials.</p>\u0000 </div>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"57 8","pages":"1350-1358"},"PeriodicalIF":2.2,"publicationDate":"2026-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148662736","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}