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13 pages, 5633 KiB  
Article
Mechanistic Study of L-Rhamnose Monohydrate Dehydration Using Terahertz Spectroscopy and Density Functional Theory
by Bingxin Yan, Zeyu Hou, Yuhan Zhao, Bo Su, Cunlin Zhang and Kai Li
Molecules 2025, 30(5), 1189; https://doi.org/10.3390/molecules30051189 - 6 Mar 2025
Abstract
L-rhamnose has recently gained attention for its potential to enhance vaccine antigenicity. To optimize its use as a vaccine adjuvant, it is important to understand the dehydration behavior of L-rhamnose monohydrate, which plays a critical role in modifying its physicochemical properties. This study [...] Read more.
L-rhamnose has recently gained attention for its potential to enhance vaccine antigenicity. To optimize its use as a vaccine adjuvant, it is important to understand the dehydration behavior of L-rhamnose monohydrate, which plays a critical role in modifying its physicochemical properties. This study investigated the spectroscopic characteristics of L-rhamnose and its monohydrate using terahertz time-domain spectroscopy (THz-TDS), Raman spectroscopy, and powder X-ray diffraction (PXRD). The results indicate that THz-TDS can more effectively distinguish the spectral features of these two compounds and can be used to reflect the structural changes in L-rhamnose monohydrate before and after dehydration. THz spectral data show that dehydration of L-rhamnose occurs at 100 °C, and continuous heating at 100 °C can complete the dehydration process within 6 min. Density functional theory (DFT) calculations revealed that water molecule vibrations significantly affect the THz absorption peaks. These findings indicate that removing water during dehydration causes substantial changes in molecular structure and dynamics. Overall, this study highlights the value of combining THz-TDS with DFT calculations to investigate the structures of carbohydrates and their hydrates, providing an accurate method for understanding the dehydration process and molecular interactions in hydrated systems. This approach holds significant importance for the development of effective vaccine adjuvants. Full article
(This article belongs to the Special Issue Exclusive Feature Papers in Analytical Chemistry)
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Figure 1
<p>Molecular structure diagrams of L-rhamnose (<b>a</b>) and rhamnose monohydrate (<b>b</b>), and unit cell diagrams of L-rhamnose (<b>c</b>) and L-rhamnose monohydrate (<b>d</b>). The white, gray, and red spheres represent hydrogen (H) atoms, carbon (C) atoms, and oxygen (O) atoms, respectively. ABC represents the unit cell parameters.</p>
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<p>THz experimental absorption spectra and error bars of L-rhamnose (<b>a</b>) and L-rhamnose monohydrate (<b>b</b>) at 25 °C.</p>
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<p>Comparison between experimental and calculated Raman spectra of L-rhamnose (<b>a</b>) and L-rhamnose monohydrate (<b>b</b>). Spectra are vertically offset for clarity.</p>
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<p>Comparison of PXRD experiment and calculated diffraction patterns of L-rhamnose (<b>a</b>) and L-rhamnose monohydrate (<b>b</b>) (with vertical spectral shift for clarity).</p>
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<p>(<b>a</b>) THz spectra of L-rhamnose monohydrate at different temperatures (spectra are vertically offset for clarity); (<b>b</b>) TGA curve of L-rhamnose monohydrate.</p>
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<p>THz spectra of L-rhamnose monohydrate at different times at 100 °C (for clarity, the spectra are vertically shifted).</p>
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<p>Experimental (<b>a</b>) and calculated (<b>b</b>) THz spectra, and vibrational modes of L-rhamnose at 2.13 THz (<b>c</b>) and 2.44 THz (<b>d</b>). ABC represents the unit cell parameters, and the green arrow indicates the vibrational direction at the corresponding THz frequency.</p>
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<p>Experimental (<b>a</b>) and calculated (<b>b</b>) THz spectra, and vibrational modes of L-rhamnose monohydrate at 2.12 THz (<b>c</b>), 2.38 THz (<b>d</b>), and 2.68 THz (<b>e</b>). ABC represents the unit cell parameters, and the green arrow indicates the vibrational direction at the corresponding THz frequency.</p>
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<p>Schematic diagram of THz-TDS system optical path.</p>
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20 pages, 4474 KiB  
Article
THz Shielding Properties of Optically Transparent PEDOT:PSS/AgNW Composite Films and Their Sandwich Structures
by Anton Voronin, Il’ya Bril’, Alexander Pavlikov, Mstislav Makeev, Pavel Mikhalev, Bogdan Parshin, Yuri Fadeev, Mikhail Khodzitsky, Mikhail Simunin and Stanislav Khartov
Polymers 2025, 17(3), 321; https://doi.org/10.3390/polym17030321 - 24 Jan 2025
Viewed by 602
Abstract
The modern pace of scientific and technological development dictates unprecedented requirements for the speed of information transfer. The THz range is considered one of the most promising and has been actively developing in recent years. Along with the need to develop transmitting devices, [...] Read more.
The modern pace of scientific and technological development dictates unprecedented requirements for the speed of information transfer. The THz range is considered one of the most promising and has been actively developing in recent years. Along with the need to develop transmitting devices, the demand for shielding materials in this range, including transparent ones, is also growing. In this work, we present two types of composite films based on silver nanowires and PEDOT:PSS. We characterized these composite films in terms of optoelectrical parameters, as well as shielding characteristics in the THz range. We found that our composite films have a sheet resistance (R□) of about 8.6 ± 1.2 Ω/□ with a transparency of about 83.41% and shielding efficiency is 25.85 dB in the THz region, which makes them excellent candidates for transparent shielding materials. We also made a bilayer sandwich structure from these composite films, which showed a shielding efficiency of about 49.34 dB in the range of 0.2–0.8 THz with a transparency of 66.33%. In addition, we assessed the possibility of real application of the structures in terms of stability to external conditions. Our composite films sustain atmospheric corrosion and maintain stable sheet resistance for 30 days. Full article
(This article belongs to the Special Issue Advances in Polymer Composites II)
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<p>TEM image of AgNW (<b>a</b>); HRTEM image of AgNW, AgNW length and AgNW diameter histograms (<b>b</b>); selective area electron diffraction (SAED) (<b>c</b>); X-ray diffraction (XRD) (<b>d</b>); UV–Vis absorption spectra of AgNW and PEDOT:PSS (<b>e</b>); Raman spectra of AgNW (<b>f</b>).</p>
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<p>Composite films preparation process illustration (<b>a</b>); SEM-images of P/AgNW and P/AgNW/P composite films (<b>b</b>).</p>
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<p>AFM-images of P/AgNW composite films obtained by 5 deposition iterations (<b>top picture</b>) and 15 deposition iterations (<b>bottom picture</b>) (<b>a</b>); P/AgNW/P composite films obtained by 5 deposition iterations (<b>top pictures</b>) and 15 deposition iterations (<b>bottom pictures</b>) (<b>b</b>); Raman spectra of P/AgNW and P/AgNW/P films (<b>c</b>).</p>
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<p>Optical Transmittance in UV–Vis–NIR range of P/AgNW composite films (<b>a</b>) and P/AgNW/P composite films (<b>b</b>); Transmittance spectra and Haze in the visible range of P/AgNW (<b>c</b>) and P/AgNW/P composite films (<b>d</b>); sheet resistance of P/AgNW and P/AgNW/P composite films (<b>e</b>); figure of merit (FoM) of P/AgNW and P/AgNW/P composite films (<b>f</b>).</p>
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<p>Time waveforms of THz pulses for P/AgNW (<b>a</b>) and P/AgNW/P composite films (<b>b</b>); Transmittance spectra in the range of 0.1–1 THz for P/AgNW (<b>c</b>) and P/AgNW/P composite films (<b>d</b>); dependences of average Transmittance on the sheet resistance value (<b>e</b>); dependences of SE on the sheet resistance value (<b>f</b>).</p>
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<p>SSE<sub>T</sub> comparison between our composite films and other materials [<a href="#B45-polymers-17-00321" class="html-bibr">45</a>,<a href="#B46-polymers-17-00321" class="html-bibr">46</a>,<a href="#B47-polymers-17-00321" class="html-bibr">47</a>,<a href="#B48-polymers-17-00321" class="html-bibr">48</a>,<a href="#B49-polymers-17-00321" class="html-bibr">49</a>,<a href="#B50-polymers-17-00321" class="html-bibr">50</a>,<a href="#B51-polymers-17-00321" class="html-bibr">51</a>].</p>
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<p>Transmittance bi- and trilayer sandwich structures based on P/AgNW composite films in the range of 300–2600 nm (<b>a</b>); optical Transmittance and Haze spectra bi- and trilayer sandwich structures based on P/AgNW composite films in the visible range (<b>b</b>); time shapes of THz pulses transmitted through bi and trilayer sandwich structures (<b>c</b>); Transmittance spectra bi- and trilayer sandwich structures in the range of 0.1–1 THz (<b>d</b>).</p>
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<p>Stability of sheet resistance of AgNW films, P/AgNW, and P/AgNW/P composite films over time under the influence of the environment (<b>a</b>); SEM images of AgNW films (<b>b</b>); P/AgNW composite film (<b>c</b>); P/AgNW/P composite film (<b>d</b>).</p>
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14 pages, 3383 KiB  
Review
Room Temperature Terahertz and Frequency Combs Based on Intersubband Quantum Cascade Laser Diodes: History and Future
by Manijeh Razeghi and Quanyong Lu
Photonics 2025, 12(1), 79; https://doi.org/10.3390/photonics12010079 - 17 Jan 2025
Viewed by 737
Abstract
The year 2024 marks the 30-year anniversary of the quantum cascade laser (QCL), which is becoming the leading laser source in the mid-infrared (mid-IR) range. Since the first demonstration, QCL has undergone tremendous development in terms of the output power, wall plug efficiency, [...] Read more.
The year 2024 marks the 30-year anniversary of the quantum cascade laser (QCL), which is becoming the leading laser source in the mid-infrared (mid-IR) range. Since the first demonstration, QCL has undergone tremendous development in terms of the output power, wall plug efficiency, spectral coverage, wavelength tunability, and beam quality. Owing to its unique intersubband transition and fast gain features, QCL possesses strong nonlinearities that makes it an ideal platform for nonlinear photonics like terahertz (THz) difference frequency generation and direct frequency comb generation via four-wave mixing when group velocity dispersion is engineered. The feature of broadband, high-power, and low-phase noise of QCL combs is revolutionizing mid-IR spectroscopy and sensing by offering a new tool measuring multi-channel molecules simultaneously in the μs time scale. While THz QCL difference frequency generation is becoming the only semiconductor light source covering 1–5 THz at room temperature. In this paper, we will introduce the latest research from the Center for Quantum Devices at Northwestern University and briefly discuss the history of QCL, recent progress, and future perspective of QCL research, especially for QCL frequency combs, room temperature THz QCL difference frequency generation, and major challenges facing QCL in the future. Full article
(This article belongs to the Special Issue The Three-Decade Journey of Quantum Cascade Lasers)
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<p>(<b>a</b>) Selected milestones of InP-based QCL research mainly achieved by CQD/NU. (<b>b</b>) Maximum RT-cw power of mid-IR InP-based QCLs at different wavelengths from CQD/NU. (<b>c</b>) Chronological map of the maximum wall plug efficiencies of RT-pulsed, RT-cw, Cryo-pulsed, and Cryo-cw operating InP-based QCLs.</p>
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<p>(<b>a</b>) Schematic band structure of a QCL featuring strong intersubband nonlinear processes. (<b>b</b>) Schematic of a difference frequency generation process in QCL. (<b>c</b>) Schematic of a four-wave mixing process in QCL.</p>
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<p>(<b>a</b>) SEM image of the cross-section of a typical GTI mirror coated on a QCL comb back facet for GVD engineering. The GTI, active region, InP cladding, and metal coatings are faulse-colored as light green, light red, light blue, and orange, respectively. (<b>b</b>) Calculated GVD for a typical QCL waveguide as a function of frequency. Gray-shaded area indicates the actively investigated spectral range of 7–9 µm, and the orange-shaded area indicates a high GVD at 5 µm. (<b>c</b>) Measured group delay dispersions of a high-reflection-coated device and a GTI-coated device. (<b>d</b>) P-I-V characterization of 5-mm-long, GTI-coated QCL comb devices in CW operation at 293 K. (<b>e</b>) Lasing spectrum in the logarithmic scale at 820 mA for the GTI-coated QCL device. (<b>f</b>) Electrical beat note spectrum at 820 mA. (<b>g</b>) Electrical beat note spectra of two QCL combs used for the multiheterodyne experiment. (<b>h</b>) Multiheterodyne beating of the two combs, corresponding to an optical bandwidth of 30 cm<sup>−1</sup>. Adapted from Ref. [<a href="#B35-photonics-12-00079" class="html-bibr">35</a>].</p>
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<p>(<b>a</b>) Schematic of a largely detuned DFB design for a THz frequency comb based on QCL. (<b>b</b>) Multiheterodyne characterizations based on the DFB and FP QCL combs. Lasing spectrum of the FP comb at 1.52 A and the DFB comb at 1.45 A recorded with the FTIR, respectively. Multiheterodyne beating of the FP comb at 1.52 A and the DFB comb at 1.45 A (<b>c</b>) and the DFB comb at 1.55 A (<b>d</b>). (<b>e</b>) Lasing THz spectra of the DFB QCL comb evolving at different currents from 1.20 to 1.55 A at room temperature continuous wave operation. Adapted from Ref. [<a href="#B43-photonics-12-00079" class="html-bibr">43</a>].</p>
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<p>(<b>a</b>) Schematic descriptions of major DFG processes. (<b>b</b>) Conduction band and wave function diagram for the SPR design. (<b>c</b>) The trends of peak power for intracavity DFG-THz QCL. The light blue bars represent DFG-THz QCLs based on modal phase-matching scheme, the dark blue bars represent DFG-THz QCLs based on Čerenkov phase-matching scheme, the red bars represent DFG-THz QCLs with highest pulsed and CW powers from Refs. [<a href="#B10-photonics-12-00079" class="html-bibr">10</a>,<a href="#B17-photonics-12-00079" class="html-bibr">17</a>], respectively. (<b>d</b>) THz power characterization of DFG-THz QCL. The inset is the far-field distribution. (<b>e</b>) The THz spectra of the devices emitting from 1.0 to 4.6 THz. (<b>f</b>) Characterization of THz spectral tuning for the SGDFB-DBR devices designed with different frequency spacings. Adapted from Refs. [<a href="#B10-photonics-12-00079" class="html-bibr">10</a>,<a href="#B17-photonics-12-00079" class="html-bibr">17</a>,<a href="#B48-photonics-12-00079" class="html-bibr">48</a>,<a href="#B50-photonics-12-00079" class="html-bibr">50</a>].</p>
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<p>(<b>a</b>) Schematic of QCL optical phased array. (<b>b</b>) Mode propagation inside a MMI waveguide design simulated using the beam propagation method. (<b>c</b>) P-I-V and WPE characterization of an 8-element QCL OPA as functions of the current in a continuous wave operation. (<b>d</b>) P-I-V and WPE characterizations of a 16-element QCL OPA and a FP reference device as functions of the current in a pulsed mode operation. (<b>e</b>) Projected THz power of a THz DFG QCL using an OPA design. Figure (<b>c</b>) is adapted from Ref. [<a href="#B19-photonics-12-00079" class="html-bibr">19</a>].</p>
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<p>(<b>a</b>) Typical quantum band structure of QCL featuring a large energy spacing between the higher lasing levels and a single phonon resonance depopulation scheme for the lower levels. (<b>b</b>) Typical images of the scanning electron microscope (SEM) of QCL under different magnifications.</p>
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17 pages, 4616 KiB  
Article
All-Metal Metamaterial-Based Sensor with Novel Geometry and Enhanced Sensing Capability at Terahertz Frequency
by Sagnik Banerjee, Ishani Ghosh, Carlo Santini, Fabio Mangini, Rocco Citroni and Fabrizio Frezza
Sensors 2025, 25(2), 507; https://doi.org/10.3390/s25020507 - 16 Jan 2025
Viewed by 693
Abstract
This research proposes an all-metal metamaterial-based absorber with a novel geometry capable of refractive index sensing in the terahertz (THz) range. The structure consists of four concentric diamond-shaped gold resonators on the top of a gold metal plate; the resonators increase in height [...] Read more.
This research proposes an all-metal metamaterial-based absorber with a novel geometry capable of refractive index sensing in the terahertz (THz) range. The structure consists of four concentric diamond-shaped gold resonators on the top of a gold metal plate; the resonators increase in height by 2 µm moving from the outer to the inner resonators, making the design distinctive. This novel configuration has played a very significant role in achieving multiple ultra-narrow resonant absorption peaks that produce very high sensitivity when employed as a refractive index sensor. Numerical simulations demonstrate that it can achieve six significant ultra-narrow absorption peaks within the frequency range of 5 to 8 THz. The sensor has a maximum absorptivity of 99.98% at 6.97 THz. The proposed absorber also produces very high-quality factors at each resonance. The average sensitivity is 7.57/Refractive Index Unit (THz/RIU), which is significantly high when compared to the current state of the art. This high sensitivity is instrumental in detecting smaller traces of samples that have very correlated refractive indices, like several harmful gases. Hence, the proposed metamaterial-based sensor can be used as a potential gas detector at terahertz frequency. Furthermore, the structure proves to be polarization-insensitive and produces a stable absorption response when the angle of incidence is increased up to 60°. At terahertz wavelength, the proposed design can be used for any value of the aforementioned angles, targeting THz spectroscopy-based biomolecular fingerprint detection and energy harvesting applications. Full article
(This article belongs to the Special Issue Recent Advances in THz Sensing and Imaging)
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<p>(<b>a</b>) Front view of the proposed design. (<b>b</b>) Side view of the proposed design. Geometrical dimensions of the structure are u = 86 µm, r = 40 µm, b = 6 µm, r<sub>1</sub> = 30 µm, r<sub>2</sub> = 20 µm, and r<sub>3</sub> = 10 µm, respectively. a = 2 µm, b = 6 µm, and t = 2 µm.</p>
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<p>Absorption spectra of the proposed structure with hexaband configuration.</p>
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<p>Side view of a conventional sensor [<a href="#B31-sensors-25-00507" class="html-bibr">31</a>,<a href="#B32-sensors-25-00507" class="html-bibr">32</a>].</p>
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<p>Comparison between the absorption plot of our proposed design and the conventional design (depicted in <a href="#sensors-25-00507-f003" class="html-fig">Figure 3</a>) [<a href="#B31-sensors-25-00507" class="html-bibr">31</a>,<a href="#B32-sensors-25-00507" class="html-bibr">32</a>].</p>
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<p>Results of parametric analysis plotting values of absorption A as a function of frequency for different values of unit cell dimensions <span class="html-italic">u</span> [µm] (<b>a</b>), ground plate thickness <span class="html-italic">t</span> [µm] (<b>b</b>), and height of the largest ring <span class="html-italic">b</span> [µm] (<b>c</b>).</p>
Full article ">Figure 5 Cont.
<p>Results of parametric analysis plotting values of absorption A as a function of frequency for different values of unit cell dimensions <span class="html-italic">u</span> [µm] (<b>a</b>), ground plate thickness <span class="html-italic">t</span> [µm] (<b>b</b>), and height of the largest ring <span class="html-italic">b</span> [µm] (<b>c</b>).</p>
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<p>Plots of simulated absorption spectra for different values of the polarization angle (<span class="html-italic">ϕ</span>) [deg].</p>
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<p>Plots of simulated absorption spectra for different values of incidence angles (<span class="html-italic">θ</span>) [deg].</p>
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<p>Real (blue solid line) and imaginary (red solid line) parts of the simulated impedance of the structure are plotted as a function of frequency.</p>
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<p>Simulated effective permittivity [F/m] (blue) and permeability [A/m] (red) of the structure are plotted as a function of frequency. The real and the imaginary parts are depicted in solid and dashed lines, respectively.</p>
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<p>Simulated surface current distribution 2D map at the resonant frequency of (<b>a</b>) 5.972 THz, (<b>b</b>) 6.272 THz, (<b>c</b>) 6.977 THz, (<b>d</b>) 7.067 THz, (<b>e</b>) 7.715 THz, and (<b>f</b>) 7.934 THz.</p>
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<p>Shift in the absorption peaks in the absorption spectrum of the structure when the refractive index increases from 1 to 1.05.</p>
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<p>Scatter plots of resonance frequency with respect to values of surrounding medium refractive index in the range from 1 to 1.05 with a step width of 1.01 for each absorption peak; (<b>a</b>) 1st Peak = 5.972 THz, (<b>b</b>) 2nd Peak = 6.272 THz, (<b>c</b>) 3rd Peak = 6.977 THz, (<b>d</b>) 4th Peak = 7.067 THz, (<b>e</b>) 5th Peak = 7.715 THz, and (<b>f</b>) 6th Peak = 7.934 THz.</p>
Full article ">Figure 12 Cont.
<p>Scatter plots of resonance frequency with respect to values of surrounding medium refractive index in the range from 1 to 1.05 with a step width of 1.01 for each absorption peak; (<b>a</b>) 1st Peak = 5.972 THz, (<b>b</b>) 2nd Peak = 6.272 THz, (<b>c</b>) 3rd Peak = 6.977 THz, (<b>d</b>) 4th Peak = 7.067 THz, (<b>e</b>) 5th Peak = 7.715 THz, and (<b>f</b>) 6th Peak = 7.934 THz.</p>
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10 pages, 4395 KiB  
Article
Enhancing Terahertz Absorption Spectrum Based on a Tunable Defect Cavity of One-Dimensional Photonic Crystal in the Combined Coaxial Waveguide
by Lu Nie, Xiangjun Li, Dongzhe Chen, Zihao Wang and Dexian Yan
Photonics 2025, 12(1), 14; https://doi.org/10.3390/photonics12010014 - 27 Dec 2024
Viewed by 512
Abstract
Terahertz (THz) molecular fingerprint spectroscopy provides a powerful label-free tool for detecting trace-amount analytes. Introducing extra microstructures such as metasurfaces to confine the field energy is essential to improve the sensitivity. However, the area of analyte film on conventional enhancing metasurfaces must be [...] Read more.
Terahertz (THz) molecular fingerprint spectroscopy provides a powerful label-free tool for detecting trace-amount analytes. Introducing extra microstructures such as metasurfaces to confine the field energy is essential to improve the sensitivity. However, the area of analyte film on conventional enhancing metasurfaces must be larger than the beam spot in a free-space measuring setup. Here, we propose a tunable defect cavity of one-dimensional photonic crystal in the combined coaxial waveguide (CCW) and enhance the broadband THz fingerprint of trace analytes on a much smaller area. The peaks of high Q resonances can form a wide absorption spectrum by changing the length of the rubber part of the coaxial waveguide. For the 0.2 µm α-lactose film sample in the frequency range of 0.48–0.58 THz, the absorption enhancement factor of 89.2 times based on the thickness can be achieved and the sample area is about 1/1700 of that in the free-space measurement with the 5 mm beam waist. We first introduce the coaxial waveguide in the terahertz absorption spectra enhancement. With our proposed structure the analyte volume is effectively reduced which is significant in the real application scenario. Full article
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Figure 1
<p>(<b>a</b>) The tunable one-dimensional photonic crystal defect cavity in the combined coaxial waveguide for THz fingerprint spectra enhancing; (<b>b</b>) the x–z and (<b>c</b>) the y–z plane cross-section of the structure.</p>
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<p>(<b>a</b>) Dispersion lines of the periodic 1D-PC in the free space and the coaxial waveguide. (<b>b</b>) Transmission spectrum of 1D-PC (blue line) with <span class="html-italic">N</span> = 4 and defect 1D-PC (red line) with <span class="html-italic">N</span> = 2. (<b>c</b>) Transmission and reflection spectra of the blank structure. (<b>d</b>) The dielectric spectra of the α-lactose. (<b>e</b>) Transmission and reflection of the structure with 1.0 µm α-lactose. (<b>f</b>) The enhanced absorption spectrum of 1.0 µm α-lactose in the CCW and the enlarged unenhanced absorption spectrum of the same film sample with 38.7 folds.</p>
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<p>The electrical field distribution at resonant frequency (<b>a</b>) the different sections at the 0.5302 THz (<span class="html-italic">d<sub>c</sub></span><sub>1</sub> = 170 µm), (<b>b</b>) without the α-lactose, and (<b>c</b>) with the α-lactose at different <span class="html-italic">d<sub>c</sub></span><sub>1</sub> = 150~170 µm.</p>
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<p>The enhancement factors of our structure with different thicknesses and volumes. (<b>a</b>) The areas of samples under conventional metasurface enhancing scheme by the free space beam and our structure. (<b>b</b>) The enhancement factors of our structure based on the different thicknesses and volumes compared with the enlarged free-standing α-lactose film.</p>
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<p>Transmission spectra of 1D PC1 in the coaxial waveguide with different layers <span class="html-italic">N</span>.</p>
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<p>(<b>a</b>–<b>f</b>) Influence of lactose film thickness <span class="html-italic">d<sub>s</sub></span> and substrate thickness <span class="html-italic">d<sub>p</sub></span> on terahertz enhancement multiplicity, respectively.</p>
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19 pages, 3853 KiB  
Article
Rapid Non-Destructive Detection of Rice Seed Vigor via Terahertz Spectroscopy
by Jun Hu, Sijie Xu, Zhikai Huang, Wennan Liu, Jiahao Zheng and Yuxi Liao
Agriculture 2025, 15(1), 34; https://doi.org/10.3390/agriculture15010034 - 26 Dec 2024
Viewed by 669
Abstract
Rice seed vigor significantly impacts yield, making the selection of high-vigor seeds crucial for agricultural production. Traditional methods for assessing seed vigor are time-consuming and destructive. This study aimed to develop a rapid, non-destructive method for evaluating rice seed vigor using terahertz spectroscopy. [...] Read more.
Rice seed vigor significantly impacts yield, making the selection of high-vigor seeds crucial for agricultural production. Traditional methods for assessing seed vigor are time-consuming and destructive. This study aimed to develop a rapid, non-destructive method for evaluating rice seed vigor using terahertz spectroscopy. Rice seeds with varying vigor levels were prepared through high-temperature and high-humidity aging and classified into high-, low-, and non-vigorous groups based on germination performance. Terahertz transmission imaging (0.1–3 THz) was conducted on 420 seeds, and spectral data were preprocessed using several advanced data processing techniques, including competitive adaptive reweighting (CARS), uninformative variable elimination (UVE), and principal component analysis (PCA). Three chemometric models, namely random forest (RF), K-nearest neighbors (KNN), and partial least squares–discriminant analysis (PLS-DA), were established. The model based on CARS-KNN after band selection achieved the highest prediction accuracy of 97.14%. The results indicate that terahertz spectroscopy combined with band selection methods provides a reliable, non-destructive approach for rice seed vigor assessment, offering significant potential for agricultural quality control. Full article
(This article belongs to the Special Issue Rice Ecophysiology and Production: Yield, Quality and Sustainability)
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<p>Schematic diagram of the working principle of the QT-TO1000 Terahertz Spectral Transmission 3D Imaging Scanner.</p>
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<p>Flowchart of Rice Seed Viability Detection.</p>
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<p>Seed Germination Box with Neatly Arranged Rice Seeds.</p>
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<p>THz Time-Domain Spectra of Rice Seeds at Various Vigor Levels.</p>
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<p>The results of feature extraction from the terahertz spectra of rice seeds obtained through the UVE algorithm.</p>
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<p>Feature Extraction Results of Terahertz Spectra of Rice Seeds Using the CARS Algorithm.</p>
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<p>Visualization of Rice Seed Terahertz Spectra Based on the First Three Principal Components Extracted by PCA.</p>
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<p>Confusion Matrix of the Full-Spectrum RF Model for the Prediction Results.</p>
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<p>Confusion Matrix of the CARS-PLS-DA Model for the Prediction Results.</p>
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<p>Confusion Matrix of the CARS-KNN Model for the Prediction Results.</p>
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11 pages, 4730 KiB  
Article
Terahertz Time-Domain Spectroscopy of Substituted Gadolinium Gallium Garnet
by Ke Wang, Junchao Xu, Hironaru Murakami, Hiroyasu Yamahara, Munetoshi Seki, Hitoshi Tabata and Masayoshi Tonouchi
Condens. Matter 2025, 10(1), 1; https://doi.org/10.3390/condmat10010001 - 25 Dec 2024
Viewed by 595
Abstract
Temperature dependence of the lowest frequency transverse optical phonon (TO1) in a single crystal Substituted Gadolinium Gallium Garnet (SGGG, (001)) was studied using terahertz time-domain spectroscopy at temperatures between 80 K and 500 K. The complex dielectric constants were calculated from the optical [...] Read more.
Temperature dependence of the lowest frequency transverse optical phonon (TO1) in a single crystal Substituted Gadolinium Gallium Garnet (SGGG, (001)) was studied using terahertz time-domain spectroscopy at temperatures between 80 K and 500 K. The complex dielectric constants were calculated from the optical constants fitting with the Lorentz oscillator model. The results show that the TO1 phonon of SGGG is at 2.5 THz at room temperature, the frequency of the TO1 phonon slightly decreases, and the dumping factor clearly increases with increasing temperature. Additionally, our results demonstrate that even a small substitution can induce a phonon shift, leading to higher absorption and causing a slight degradation in thermal stability. Our work is expected to support the development of magneto-optical and spintronic devices. Full article
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<p>THz-TDS results of SGGG at room temperature by using the air-plasma-based THz-TDS system. (<b>a</b>) time-domain waveforms; (<b>b</b>) phase spectra; (<b>c</b>) frequency-domain spectra, by applying FFT on time-domain data; and (<b>d</b>) the transmission spectrum. The shadowed areas represent unreliable regions.</p>
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<p>Temperature-dependent complex dielectric constants from 80 to 500 K of SGGG. Figures on the left and right represent the real part and the imaginary part, respectively. Solid lines: fitting results; open squares: the real part; and open circles: the imaginary part. Black 3D spheres in the figures at 300 K represent the data measured with the Otsuka system for validating air-plasma-based system results.</p>
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<p>Fitting parameters of the TO1 phonon of SGGG. The colors represent different temperatures, and they correspond to <a href="#condensedmatter-10-00001-f002" class="html-fig">Figure 2</a>.</p>
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<p>Temperature dependence of the phonon frequencies. Differences are displayed in comparison with those at 80 K. Black: calculated with the minimum Grüneisen parameter of 0.5; red: calculation results with Grüneisen parameters with a maximum Grüneisen parameter of 1.8; and blue: experimental data.</p>
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<p>The comparison of the imaginary part of complex refractive index κ of SGGG and GGG at 300 K, from 1.5 to 3 THz. The black line: (001) SGGG; the red line: (001) GGG.</p>
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<p>The comparison of the loss tangents of SGGG and GGG at 300 K by averaging the data in the frequency range from 2.7 to 2.8 THz. Black symbols: (001) SGGG; red symbols: (001) GGG. The colors represent different temperatures, and they correspond to <a href="#condensedmatter-10-00001-f002" class="html-fig">Figure 2</a>.</p>
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<p>Crystal structure of SGGG. Different atoms are displayed in different colors. Red: O; purple: Gd; dark green: Ga; orange: Mg; cyan: Ca; and neon green: Zr.</p>
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9 pages, 2897 KiB  
Article
Optical Parameters of Deuterated Triglycine Sulfate in Terahertz Range
by Kirill Brekhov, Anastasia Gorbatova, Ekaterina Lebedeva, Pavel Avdeev, Andrey Kudryavtsev, Oleg Chefonov, Sergey Zhukov and Elena Mishina
Crystals 2024, 14(12), 1093; https://doi.org/10.3390/cryst14121093 - 19 Dec 2024
Viewed by 534
Abstract
In this work, the optical parameters of a 550 μm thick deuterated triglycine sulfate (DTGS) crystal in the range of 0.3–1.5 THz were investigated in low and high fields by time-domain spectroscopy. The X and Z axes of the refractive index ellipsoid were [...] Read more.
In this work, the optical parameters of a 550 μm thick deuterated triglycine sulfate (DTGS) crystal in the range of 0.3–1.5 THz were investigated in low and high fields by time-domain spectroscopy. The X and Z axes of the refractive index ellipsoid were identified, and the refractive indices and extinction coefficients were determined. In addition, it was shown that, in strong THz fields, a phonon A-mode with a frequency of about 40 cm−1 can be excited in the DTGS crystal when the THz wave vector coincides with the polar axis of the crystal and the polarization of the THz radiation coincides with the X-axis of the crystal. The use of the observed effect and the determination of the mode excitation parameters can be twofold. First, they show the limits of the THz field for non-invasive action on the crystal. Second, they present the mode excitation conditions that can be used, for example, in controllable absorbers. Full article
(This article belongs to the Section Inorganic Crystalline Materials)
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<p>XRD pattern of the DTGS crystal.</p>
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<p>Schematic and photo of the experimental terahertz spectroscopy facilities used in this work: (<b>a</b>) Facility 1, (<b>b</b>) Facility 2–commercial THz spectrometer Tera K15 (Menlo System) [<a href="#B27-crystals-14-01093" class="html-bibr">27</a>], (<b>c</b>) Facility 3.</p>
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<p>Azimuthal dependences of the (<b>a</b>) X-and (<b>b</b>) Y-components of the THz signal on DTGS crystal rotation angle (Facility 1). X- and Y-components of the THz field are directed along the X and Y axes of the laboratory frame (blue axes in the left panel). The gray area is the refractive indices ellipsoid. Red axes on the left panel denote its main axes.</p>
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<p>Temporal (<b>left panels</b>) and spectral (<b>right panels</b>) forms of the THz signals for facilities 2 and 3.</p>
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<p>Optical constants of DTGS crystal for different THz field strength and two sample orientations: (<b>a</b>) spectra of the refractive indices <math display="inline"><semantics> <mrow> <msub> <mrow> <mi>n</mi> </mrow> <mrow> <mi>x</mi> </mrow> </msub> </mrow> </semantics></math> and <math display="inline"><semantics> <mrow> <msub> <mrow> <mi>n</mi> </mrow> <mrow> <mi>z</mi> </mrow> </msub> </mrow> </semantics></math> (Facility 2); (<b>d</b>) spectra of the extinction coefficients <math display="inline"><semantics> <mrow> <msub> <mrow> <mi>k</mi> </mrow> <mrow> <mi>x</mi> </mrow> </msub> </mrow> </semantics></math> and <math display="inline"><semantics> <mrow> <msub> <mrow> <mi>k</mi> </mrow> <mrow> <mi>z</mi> </mrow> </msub> </mrow> </semantics></math> (Facility 2); (<b>b</b>,<b>c</b>,<b>e</b>,<b>f</b>) spectra of the optical constants for different values of the maximum field strength: <math display="inline"><semantics> <mrow> <msub> <mrow> <mi>n</mi> </mrow> <mrow> <mi>x</mi> </mrow> </msub> </mrow> </semantics></math>, <math display="inline"><semantics> <mrow> <msub> <mrow> <mi>n</mi> </mrow> <mrow> <mi>z</mi> </mrow> </msub> </mrow> </semantics></math>, <math display="inline"><semantics> <mrow> <msub> <mrow> <mi>k</mi> </mrow> <mrow> <mi>x</mi> </mrow> </msub> </mrow> </semantics></math>, and <math display="inline"><semantics> <mrow> <msub> <mrow> <mi>k</mi> </mrow> <mrow> <mi>z</mi> </mrow> </msub> </mrow> </semantics></math>, correspondingly (Facility 3).</p>
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17 pages, 2214 KiB  
Review
Qualitative and Quantitative Analysis of Volatile Molecular Biomarkers in Breath Using THz-IR Spectroscopy and Machine Learning
by Akim Tretyakov, Denis Vrazhnov, Alexander Shkurinov, Viacheslav Zasedatel and Yury Kistenev
Appl. Sci. 2024, 14(24), 11521; https://doi.org/10.3390/app142411521 - 11 Dec 2024
Viewed by 1029
Abstract
Exhaled air contains volatile molecular compounds of endogenous origin, being products of current metabolic pathways. It can be used for medical express diagnostics through control of these compounds in the patient’s breath using molecular absorption spectroscopy. The fundamental problem in this field is [...] Read more.
Exhaled air contains volatile molecular compounds of endogenous origin, being products of current metabolic pathways. It can be used for medical express diagnostics through control of these compounds in the patient’s breath using molecular absorption spectroscopy. The fundamental problem in this field is that the composition of exhaled air or other gas mixtures of natural origin is unknown, and content analysis of such spectra by conventional iterative methods is unpredictable. Machine learning methods enable the establishment of latent dependencies in spectral data and the conducting of their qualitative and quantitative analysis. This review is devoted to the most effective machine learning methods of exhaled air sample absorption spectra qualitative and content analysis. The focus is on interpretable machine learning methods, which are important for reliable medical diagnosis. Also, the steps additional to the standard machine learning pipeline and important for medical decision support are discussed. Full article
(This article belongs to the Special Issue Advances of Laser Technologies and Their Applications)
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<p>ML pipeline suitable for gas mixtures for absorption spectra analysis.</p>
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<p>The model spectra decomposition using canonical correlation analysis. Comparison of method’s accuracy for original model spectrum, original spectrum with noise and artificially reduced resolution, and the latter, after denoising and high-resolution reconstruction procedures [<a href="#B55-applsci-14-11521" class="html-bibr">55</a>]. (Reused under license # 5882601337718).</p>
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<p>Suggested optimal ML pipeline.</p>
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<p>Conventional iterative and ML methods comparison with respect to qualitative/quantitative spectra analysis task.</p>
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<p>The additional steps in IR-THz spectra processing pipeline for exhaled air samples analysis.</p>
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<p>Extended analysis of IR-THz spectra for breathomics applications.</p>
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12 pages, 3602 KiB  
Communication
Multi-Degree-of-Freedom Stretchable Metasurface Terahertz Sensor for Trace Cinnamoylglycine Detection
by Huanyu Li, Wenyao Yu, Mengya Pan, Shuo Liu, Wanxin Nie, Yifei Zhang and Yanpeng Shi
Biosensors 2024, 14(12), 602; https://doi.org/10.3390/bios14120602 - 9 Dec 2024
Viewed by 816
Abstract
Terahertz (THz) spectroscopy, an advanced label-free sensing method, offers significant potential for biomolecular detection and quantitative analysis in biological samples. Although broadband fingerprint enhancement compensates for limitations in detection capability and sensitivity, the complex optical path design in operation restricts its broader adoption. [...] Read more.
Terahertz (THz) spectroscopy, an advanced label-free sensing method, offers significant potential for biomolecular detection and quantitative analysis in biological samples. Although broadband fingerprint enhancement compensates for limitations in detection capability and sensitivity, the complex optical path design in operation restricts its broader adoption. This paper proposes a multi-degree-of-freedom stretchable metasurface that supports magnetic dipole resonance to enhance the broadband THz fingerprint detection of trace analytes. The metasurface substrate and unit cell structures are constructed using polydimethylsiloxane. By adjusting the sensor’s geometric dimensions or varying the incident angle within a narrow range, the practical optical path is significantly simplified. Simultaneously, the resonance frequency of the transmission curve is tuned, achieving high sensitivity for effectively detecting cinnamoylglycine. The results demonstrate that the metasurface achieves a high-quality factor of 770.6 and an excellent figure of merit of 777.2, significantly enhancing the THz sensing capability. Consequently, the detection sensitivity for cinnamoylglycine can reach 24.6 µg·cm−2. This study offers critical foundations for applying THz technology to biomedical fields, particularly detecting urinary biomarkers for diseases like gestational diabetes. Full article
(This article belongs to the Special Issue Flexible and Stretchable Electronics as Biosensors)
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<p>(<b>a</b>) Structural view of an all-dielectric metasurface, showing the periodic arrangement of pure PDMS cubic clusters. (<b>b</b>) Unit cell of the periodic structure. (<b>c</b>) Schematic of the structure of the holder with the y-axis fixed and moving along the x-axis. (<b>d</b>) THz-TDS system based on a photoconductive antenna.</p>
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<p>(<b>a</b>) Metasurface transmission spectra at stretch factor S = 100% and S = 107%. (<b>b</b>) Electric and magnetic field distributions measured at the surface of the PDMS substrate at stretch factor S = 100%.</p>
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<p>(<b>a</b>) Effect of varying periodicity in the x-direction P<sub>x</sub> on the transmission curve. (<b>b</b>) Effect of varying periodicity in the y-direction P<sub>y</sub> on the transmission curve. (<b>c</b>) Impact of varying cube size w on the transmission curve. (<b>d</b>) Influence of varying substrate thickness t on the transmission curve. (<b>e</b>) Effect of varying inter-cube cluster distance L on the transmission curve. (<b>f</b>) Effect of varying cube cluster height h on the transmission curve.</p>
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<p>(<b>a</b>) Schematic diagram of the metasurface structure with the attached analyte as the stretching factor S varying from 100% to 130%. (<b>b</b>) Two-dimensional contour plot of the transmittance as a function of the stretching factor and frequency. (<b>c</b>) Normalized transmission spectra without analyte (stretching factor ranging from 100% to 130%).</p>
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<p>(<b>a</b>) Refractive index and complex refractive index of cinnamoylglycine in the THz band. (<b>b</b>) Stretch factor dependent transmission spectra of 0.6 µm thick cinnamoylglycine on a metasurface. (<b>c</b>) The electric field distribution measured at the substrate surface in the x–y plane at 0.487 THz for specific stretching factors S, corresponding to the transmission spectra shown in (<b>b</b>), respectively.</p>
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<p>(<b>a</b>) Normalized transmission spectra of 0.6 µm thick cinnamoylglycine with stretch factors ranging from 100% to 130%, the S values increasing by 1% between each curve. The corresponding envelopes have been plotted with red lines. (<b>b</b>) Transmission envelope curves for different thicknesses of analytes.</p>
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<p>(<b>a</b>) Schematic diagram of angle multiplexing in the x–z plane of the metasurface. (<b>b</b>) Normalized transmission spectra without any analyte, with angles of incidence ranging from 0° to 15°, the values increasing by 0.5° between each curve. (<b>c</b>) Integrated transmission spectrum of a 0.6 µm thick cinnamoylglycine film with incidence angles ranging from 0° to 15°, the values increasing by 0.5° between each curve. The corresponding envelope has been plotted with a red line.</p>
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10 pages, 2881 KiB  
Article
Observation of Boson Peak of Fragile Baltic Amber Glass by Terahertz Time-Domain Spectroscopy
by Toru Sasaki, Soo Han Oh, Tatsuya Mori and Seiji Kojima
Materials 2024, 17(23), 5956; https://doi.org/10.3390/ma17235956 - 5 Dec 2024
Viewed by 675
Abstract
Amber is a fragile (in Angell’s classification) natural glass that has performed maturation processes over geological time. The terahertz dynamics of Baltic amber that was about 40 million years old were studied by terahertz time-domain spectroscopy (THz-TDS) in the frequency range of 0.2 [...] Read more.
Amber is a fragile (in Angell’s classification) natural glass that has performed maturation processes over geological time. The terahertz dynamics of Baltic amber that was about 40 million years old were studied by terahertz time-domain spectroscopy (THz-TDS) in the frequency range of 0.2 and 6.0 THz. In general, the intensity of a boson peak is weak for fragile glass. In the terahertz transmission spectra of Baltic amber in the previous study, no boson peak was observed upon slow cooling. However, in the present study, upon rapid cooling down to 15 K, the boson peak was observed clearly at 0.36 THz by the suppression of ice nucleation of confined water. The dynamic correlation length determined by the boson peak frequency was compared with the static structure correlation length and the scale of the medium-range order as determined by the first sharp diffraction peak of X-ray diffraction (XRD) in the recent literature. It was found that the dynamic correlation length determined by THz-TDS was closely related to the static correlation length determined by the XRD analysis. Full article
(This article belongs to the Special Issue Terahertz Vibrational Spectroscopy in Advanced Materials)
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<p>Baltic amber.</p>
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<p>Experimental setup of the THz time-domain spectrometer (RT-10000).</p>
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<p>Time-domain and frequency-domain responses of (<b>a</b>) <span class="html-italic">E</span>(t) and (<b>b</b>) <span class="html-italic">E</span>(ν)<sup>2</sup> of Baltic amber at room temperature.</p>
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<p>(<b>a</b>) Temperature dependence of THz-TDS spectra α(ν)/ν<sup>2</sup> of Baltic amber observed after a rapid quench of 5 K/min down to 15 K. Upon heating after the quench, the intensity of a BP gradually decreases. (<b>b</b>) Temperature dependence of THz-TDS spectra α(ν)/ν<sup>2</sup> of Baltic amber after a slow cooling at a rate of 0.3 K/min down to 12 K. No BP was observed [<a href="#B7-materials-17-05956" class="html-bibr">7</a>]. Different colored lines denote different temperatures.</p>
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<p>Fitted curve of the BP in THz-TDS spectrum by a log-normal function; α(ν)/ν<sup>2</sup> of a Baltic amber at 15 K.</p>
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<p>Temperature dependence of real and imaginary parts of the dielectric constant of a Baltic amber at 1.0 THz. Orange, blue, and red circles are heating after the rapid cooling, slow cooling, and heating after slow cooling, respectively.</p>
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<p>The fitting of (<b>a</b>) real and (<b>b</b>) imaginary parts of the complex dielectric constant of Baltic amber in the broad THz range using the damped oscillator model (DHO), Debye relaxation, and Cole–Davidson function.</p>
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13 pages, 2482 KiB  
Article
Optical and Geometrical Properties from Terahertz Time-Domain Spectroscopy Data
by George Youssef, Nha Uyen T. Huynh and Somer Nacy
Materials 2024, 17(23), 5854; https://doi.org/10.3390/ma17235854 - 29 Nov 2024
Viewed by 672
Abstract
Terahertz waves are nondestructive and non-ionizing to synthetic and natural materials, including polymeric and biological materials. As a result, terahertz-based spectroscopy has emerged as a suitable technique to uncover fundamental molecular mechanisms and material properties in this electromagnetic spectrum regime. In terahertz time-domain [...] Read more.
Terahertz waves are nondestructive and non-ionizing to synthetic and natural materials, including polymeric and biological materials. As a result, terahertz-based spectroscopy has emerged as a suitable technique to uncover fundamental molecular mechanisms and material properties in this electromagnetic spectrum regime. In terahertz time-domain spectroscopy (THz-TDS), the material’s optical properties are resolved using the raw time-domain signals collected from the sample and air reference data depending on accurate prior knowledge of the sample geometry. Alternatively, different spectral analysis algorithms can extract the complex index of refraction of optically thick or optically thin samples without specific thickness knowledge. A THz-TDS signal without apparent Fabry–Pérot oscillations is commonly associated with optically thin samples, whereas the terahertz signal of optically thick samples exhibits distinct Fabry–Pérot oscillations. While several extraction algorithms have been reported a priori, the steps from reducing the time-domain signal to calculating the complex index of refraction and resolving the correct thickness can be daunting and intimidating while obscuring important steps. Therefore, the objective is to decipher, demystify, and demonstrate the extraction algorithms for Fabry–Pérot-absent and -present terahertz signals for various polymers with different molecular structure classifications and nonlinear optical crystal zinc telluride. The experimental results were in good agreement with previously published values while elucidating the contributions of the molecular structure to the stability of the algorithms. Finally, the necessary condition for manifesting Fabry–Pérot oscillations was delineated. Full article
(This article belongs to the Special Issue Terahertz Materials and Technologies in Materials Science)
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<p>Typical time-domain signals (<b>a</b>) with and (<b>b</b>) without Fabry–Pérot (FP) oscillations. The signals were vertically shifted for better visualization.</p>
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<p>Step-by-step diagram of the parameter extraction algorithm from THz signals without apparent Fabry–Pérot (FP) oscillations.</p>
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<p>Step-by-step diagram for the properties extraction algorithm from THz-TDS time-domain data with apparent Fabry–Pérot (FP) oscillations.</p>
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<p>A composite of the results, thickness, real index, and absorption coefficient, based on applying properties extraction algorithm outlined in <a href="#sec2dot1-materials-17-05854" class="html-sec">Section 2.1</a> on THz-TDS signals from (<b>a</b>) low-density polyethylene (LDPE), (<b>b</b>) polyoxymethylene (POM), and (<b>c</b>) polyurea (PU).</p>
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<p>Comparison of the refractive indexes and absorption coefficients of black (POM<sub>Bl</sub>) and white (POM<sub>Wh</sub>) polyoxymethylene at the corresponding optimal thicknesses.</p>
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<p>Resulting (<b>a</b>) optimal thickness, (<b>b</b>) refractive index, and (<b>c</b>) absorption coefficient of ZnTe based on the algorithm using THz signals with apparent Fabry–Pérot echoes.</p>
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13 pages, 7300 KiB  
Article
The Use of Terahertz Computed Tomography and Time Domain Spectroscopy to Evaluate Symmetry in 3D Printed Parts
by Dolores Termini, John Federici, Ian Gatley and Louis Rizzo
Polymers 2024, 16(23), 3296; https://doi.org/10.3390/polym16233296 - 26 Nov 2024
Viewed by 672
Abstract
3D printing has become essential to many fields for its low-cost production and rapid prototyping abilities. As 3D printing becomes an alternative manufacturing tool, developing methods to non-destructively evaluate defects for quality control is essential. This study integrates the non-destructive terahertz (THz) analysis [...] Read more.
3D printing has become essential to many fields for its low-cost production and rapid prototyping abilities. As 3D printing becomes an alternative manufacturing tool, developing methods to non-destructively evaluate defects for quality control is essential. This study integrates the non-destructive terahertz (THz) analysis methods of terahertz time-domain spectroscopy (THz-TDS) and terahertz computed tomography (THz CT) to image and assess 3D printed resin structures for defects. The terahertz images were reconstructed using MATLAB, and the rotational symmetry of various structures before and after the introduction of defects was evaluated by calculating the mean squared deviation (MSD), which served as a symmetry parameter to indicate the presence of defects. Structures A and B had MSD values that were at least three standard deviations larger after introducing defects to their structures, showing a significant change in symmetry and indicating the existence of defects. Similarly, in structure C, blockages in parts made with different post-cures were identified based on the increase in MSD values for those slices. For structure D, the presence of a defect increased the MSD value by 14%. The results of this study verify that the MSD calculated for the rotational symmetry of the structures was greater when defects were present, accurately reflecting the anticipated breaks in symmetry. This paper demonstrates that terahertz imaging, combined with MSD analysis, is a viable procedure to identify and quantify defects in rotationally symmetric 3D printed structures. Full article
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<p>3D printed structures with various rotational symmetries: (<b>a</b>) structure A side profile, (<b>b</b>) bottom of structure A with holes that propagate through the structure in the y-direction and trifold symmetry marked with lines of symmetry, (<b>c</b>) structure B side profile with external 2 mm defect circled, (<b>d</b>) bottom of structure B with the hole that propagates through the structure in the y-direction, (<b>e</b>) structure C side profile, (<b>f</b>) bottom of structure C with the seven holes that propagates through the structure in the y-direction and six-fold symmetry marked with lines of symmetry, (<b>g</b>) structure D front profile with an external 4 mm dental wax defect circled and twofold symmetry marked with a horizontal line.</p>
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<p>Schematic of THz CT apparatus layout: (A) The upside-down 360° rotational stage is controlled by a LabView program, (B) A 3D printed container filled with mineral oil to provide a planar surface, (C) The structure is glued to a (D) 3D printed mount that allows mineral oil to flow through the holes. The mount is screwed into a most that is screwed into the 360° rotational stage, (E) The XY stage between the terahertz transmitter and receiver that the THz CT apparatus is mounted upon. From this view, the x-direction of the translational stage is in and out of the page, while the y-direction is up and down.</p>
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<p>Structure A THz CT slice reconstructions in MATLAB: (<b>a</b>) structure A slice without defects, (<b>b</b>) structure A slice with an artificial defect indicated by the red circle, and (<b>c</b>) structure A slice with one hole filled with air indicated by the red circle.</p>
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<p>Structure B THz CT slice reconstructions in FIJI and MATLAB: (<b>a</b>) shows a FIJI reconstruction of structure B with internal and external defects, used to identify the location of the defects, with red arrows pointing to different cross-sectional areas of the reconstruction, (<b>b</b>) MATLAB plot of structure B with an external defect and inconsistencies pointed out by the red arrows, (<b>c</b>) MATLAB plot of a structure B slice without defects, and (<b>d</b>) MATLAB plot of a structure B with an internal defect and inconsistencies pointed out by the red arrows.</p>
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<p>Structure C THz CT slice reconstructions in MATLAB: (<b>a</b>) no post-cure slices without defects, (<b>b</b>) thermal post-cure slice without defects, (<b>c</b>) thermal post-cure slice with blockages, (<b>d</b>) UV post-cure slice without defects, and (<b>e</b>) UV post-cure slice with blockages.</p>
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<p>Structure D THz-TDS plots in MATLAB: (<b>a</b>) structure D front profile and (<b>b</b>) structure D with an external 4 mm defect circled in red.</p>
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14 pages, 5927 KiB  
Article
Terahertz Spectroscopy in Assessing Temperature-Shock Effects on Citrus
by Junbo Wang, Ziyi Zang, Xiaomei Li, Dongyun Tang, Qi Xiao, Mingkun Zhang and Shihan Yan
Sensors 2024, 24(22), 7315; https://doi.org/10.3390/s24227315 - 15 Nov 2024
Viewed by 645
Abstract
Rapid assessment of physiological status is a precondition for addressing biological stress in trees so that they may recover. Environmental stress can cause water deficit in plants, while terahertz (THz) spectroscopy is sensitive to changes in aqueous solutions within organisms. This has given [...] Read more.
Rapid assessment of physiological status is a precondition for addressing biological stress in trees so that they may recover. Environmental stress can cause water deficit in plants, while terahertz (THz) spectroscopy is sensitive to changes in aqueous solutions within organisms. This has given the THz sensor a competitive edge for evaluating plant phenotypes, especially under similar environmental stress, if there are existing differences in the corresponding THz information. In this study, we utilized THz technology in association with traditional weighing methods to explore physiological changes in citrus leaves under different temperature, duration, and stress treatment conditions. It was found that the higher the temperature and the longer the exposure duration, the more severe the reduction in the relative absorption coefficient. There was a positive correlation between the trends and the increase in the ion permeability of cells. In addition, based on the effective medium theory, THz spectral information can be transformed into information on free water and bound water in the leaves. Under different treatment conditions, water content shows different trends and degrees of change on the time scale, and accuracy was verified by traditional weighing methods. These findings revealed that characteristics of THz information can serve as a simple and clear indicator for judging a plant’s physiological status. Full article
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<p>Schematic diagram of the experimental process.</p>
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<p>THz-TDS system (<b>a</b>), THz spectral measurement in working mode (<b>b</b>), and sample holder with leaf sample (<b>c</b>).</p>
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<p>Relative absorption coefficient of leaves after high−temperature stress at 30 °C (<b>a</b>), 35 °C (<b>b</b>), 40 °C (<b>c</b>) for 1, 2, 4, 6 and 16 h, and (<b>d</b>) linear fitting curves. The original reference zero is shown as red dashed line.</p>
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<p>Volume fraction of water, free water, and bound water and the ratio of bound water and free water in leaves after high-temperature stress at 30 °C, 35 °C, and 40 °C for 1, 2, 4, 6, and 16 h based on THz spectroscopy.</p>
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<p>Correlation analysis of relative electrolyte leakage rate and relative absorption coefficient.</p>
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<p>Correlation analysis of leaf WC (<b>a</b>), FWC (<b>b</b>), BWC (<b>c</b>), and BWC/FWC (<b>d</b>) content measured using THz spectroscopy and gravimetric methods.</p>
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<p>Linear fitting curves of relative absorption coefficients of leaves under five consecutive intermittent high−temperature cycles.</p>
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<p>Relative change in volume fraction of water, free water, bound water, and the ratio of bound water and free water in leaves under 5 consecutive intermittent high−temperature cycles at 30 °C, 35 °C, and 40 °C using THz spectroscopy.</p>
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26 pages, 16612 KiB  
Article
Dynamic Analysis and Vibration Control of Additively Manufactured Thin-Walled Polylactic Acid Polymer (PLAP) and PLAP Composite Beam Structures: Numerical Investigation and Experimental Validation
by Ali Raza, Magdalena Mieloszyk, Rūta Rimašauskienė and Vytautas Jūrėnas
Materials 2024, 17(22), 5478; https://doi.org/10.3390/ma17225478 - 9 Nov 2024
Viewed by 852
Abstract
This study primarily presents a numerical investigation of the dynamic behavior and vibration control in thin-walled, additively manufactured (AM) beam structures, validated through experimental results. Vibration control in thin-walled structures has gained significant attention recently because vibrations can severely affect structural integrity. Therefore, [...] Read more.
This study primarily presents a numerical investigation of the dynamic behavior and vibration control in thin-walled, additively manufactured (AM) beam structures, validated through experimental results. Vibration control in thin-walled structures has gained significant attention recently because vibrations can severely affect structural integrity. Therefore, it is necessary to minimize these vibrations or keep them within acceptable limits to ensure the structure’s integrity. In this study, the AM beam structures were made of polylactic acid polymer (PLAP), short carbon fiber reinforced in PLAP (SCFR|PLAP), and continuous carbon fiber reinforced in PLAP (CCFR|PLAP), with 0°|0° layer orientations. The finite element modeling (FEM) of the AM beam structures integrated with macro fiber composite (MFC) was carried out in Abaqus. The initial four modal frequencies of bending modes (BMs) and their respective modal shapes were acquired through numerical simulation. It is crucial to highlight the numerical findings that reveal discrepancies in the 1st modal frequencies of the beams, ranging up to 1.5% compared to their respective experimental values. For the 2nd, 3rd, and 4th modal frequencies, the discrepancies are within 10%. Subsequently, frequency response analysis (FRA) was carried out to observe the frequency-dependent vibration amplitude spectrum at the initial four BM frequencies. Despite discrepancy in the amplitude values between the numerical and experimental datasets, there was consistency in the overall amplitude behavior as frequency varied. THz spectroscopy was performed to identify voids or misalignment errors in the actual beam models. Finally, vibration amplitude control using MFC (M8507-P2) was examined in each kinematically excited numerical beam structure. After applying a counterforce with the MFC, the controlled vibration amplitudes for the PLAP, SCFR|PLAP, and CCFR|PLAP configurations were approximately ±19 µm, ±16 µm, and ±13 µm, respectively. The trend in the controlled amplitudes observed in the numerical findings was consistent with the experimental results. The numerical findings of the study reveal valuable insights for estimating trends related to vibration control in AM beam structures. Full article
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<p>Overview of steps involved in numerical simulation.</p>
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<p>Modeling beam structures oriented at 0°|0°: (<b>a</b>) approach for PLAP and SCFR|PLAP beam structures and (<b>b</b>) approach for CCFR|PLAP.</p>
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<p>Beam structures integrated with MFC, illustrating boundary conditions (units in mm): (<b>a</b>) FEM model and (<b>b</b>) schematic view of experimental sample.</p>
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<p>Schematic depiction of beam structure with MFC to assess frequency-dependent dynamic behavior.</p>
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<p>Non-destructive C-scanning of beam structures to identify the internal defects: (<b>a</b>) THz spectrometer setup for experiment and (<b>b</b>) illustration identifying internal defects.</p>
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<p>Initial four bending modes of MFC-integrated 0°|0°-oriented beam structures: (<b>a</b>) bending modes _0°|0° PLAP, (<b>b</b>) bending modes _0°|0° SCFR|PLAP, and (<b>c</b>) bending modes _0°|0° CCFR|PLAP.</p>
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<p>Initial four bending modes of MFC-integrated 0°|0°-oriented beam structures: (<b>a</b>) bending modes _0°|0° PLAP, (<b>b</b>) bending modes _0°|0° SCFR|PLAP, and (<b>c</b>) bending modes _0°|0° CCFR|PLAP.</p>
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<p>Node locations on beam structure integrated with MFC: (<b>a</b>) node locations on AM beam and (<b>b</b>) node locations on AM beam.</p>
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<p>Frequency-dependent amplitude spectrum of 0°|0°-oriented beam structures: (<b>a</b>) numerical data and (<b>b</b>) experimental data.</p>
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<p>PLAP surfaces: (<b>a</b>) upper surface, (<b>b</b>) bottom surface, and (<b>c</b>) metal table.</p>
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<p>SCFR|PLAP surfaces: (<b>a</b>) upper surface, (<b>b</b>) bottom surface, and (<b>c</b>) metal table.</p>
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<p>CCFR|PLAP surfaces: (<b>a</b>) upper surface, (<b>b</b>) bottom surface, and (<b>c</b>) metal plate.</p>
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<p>Vibration amplitude analysis in 0°|0° PLAP beam structure: (<b>a</b>) uncontrolled vibration amplitude and (<b>b</b>) controlled vibration amplitude.</p>
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<p>Vibration amplitude analysis in 0°|0° SCFR|PLAP beam structure: (<b>a</b>) uncontrolled vibration amplitude and (<b>b</b>) controlled vibration amplitude.</p>
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<p>Vibration amplitude analysis in 0°|0° CCFR|PLAP beam structure: (<b>a</b>) uncontrolled vibration amplitude and (<b>b</b>) controlled vibration amplitude.</p>
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