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A novel method for the rapid identification of hemp fibers is proposed in this paper, utilizing terahertz time-domain spectroscopy (THz-TDS) combined with the LargeVis (LV) dimensionality reduction technique. This approach takes advantage of the strengths of THz-TDS while enhancing classification accuracy through LV. To verify the efficacy of this method, terahertz absorption spectral data from three types of hemp fibers were processed. The THz absorption spectra were initially preprocessed using Hanning filtering. Following this, the filtered data underwent dimensionality reduction through three distinct methods: linear Principal Component Analysis (PCA), nonlinear t-Distributed Stochastic Neighbor Embedding (t-SNE), and the LV method. This sequence of steps resulted in a two-dimensional feature data matrix derived from the THz source spectral data. The resultant feature data matrices were then input into both K-Nearest Neighbors (KNN) and Decision Tree (DT) classifiers for analysis. The classification accuracies of six models were evaluated, revealing that the LV-KNN model achieved a 86.67% accuracy rate for the three hemp fiber types. Impressively, the LV-DT model achieved a perfect 100.00% accuracy rate for the same fibers. The LV-DT model, when integrated with THz spectroscopy technology, offers a quick and precise method for identifying various types of hemp fibers. This development introduces an innovative optical measurement scheme for the characterization of textile materials.

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Charge carriers in the soft and polar perovskite lattice form so-called polaron quasiparticles, charge carriers dressed with a lattice deformation. The spatial extent of a polaron is governed by the material's electron-phonon interaction strength, which determines charge carrier effective mass, mobility, and the so-called Mott polaron density, that is, the maximum stable density of charge carriers that a perovskite can support. Despite its significance, controlling polaron dimensions has been challenging. Here, experimental substantial tuning of polaron dimensions is reported by lattice engineering, through Pb/Sn substitution in CH3NH3SnxPb1-xI3. The polaron dimension is deduced from the Mott polaron density, which can be composition-tuned over an order of magnitude, while charge carrier mobility occurs through band transport, and remains substantial across all compositions, ranging from 10 s to 100 s cm2 V s-1 at room temperature. The effective modulation of polaron size can be understood by considering the bond asymmetry after carrier injection as well as the random spatial distribution of Pb/Sn ions. This study underscores the potential for tailoring polaron dimensions, which is crucial for optimizing applications prioritizing either high charge carrier density or high mobility.

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This work presents a new method for the enhancement of sensitivity in Terahertz (THz) spectroscopy on metamaterial (MM) in terms of its resonance frequency shift (ΔF), by attaching the dielectric back plate to the MM's silicon (Si) wafer. The dielectric back plates are designed to minimize the Fresnel reflections at the backside of the substrate, identical to a broadband antireflective (AR) plate tailored for THz. Utilizing broadband AR technology, we demonstrate the concept of decoupling MM resonance from the substrate's Fabry-Pérot (FP) oscillations. This is done by effectively coupling the THz light out of the high-permittivity substrate, resulting in the improved quality factor of the MM resonance and overall plasmonic enhancement on the metasurface. The back plate acts as a surface plasmonic enhancer to the THz MM by increasing the field intensity on the front metasurface, leading to enhancement of dielectric response (MM's ΔF). This makes the MM resonance ultrasensitive to the minor changes of particle size/concentration under test spread on the metasurface, contributing to enhanced resonance ΔF. The plate also makes the Si substrate optically lossless, enabling the full effect of MM resonance shift and increasing the resonance ΔF by 8-fold compared with MM's fabricated on conventional Si substrates. This research is backed-up with system-level CST simulations and experimental THz impedance spectroscopy of the MM. This method and chip structure is CMOS compatible having potential applications for any resonant MM fabricated on a substrate aimed to maximize dielectric sensitivity for biosensing and nanoparticle THz spectroscopy.

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Two-dimensional (2D) hybrid organic-inorganic metal halide perovskites offer enhanced stability for perovskite-based applications. Their crystal structure's soft and ionic nature gives rise to strong interaction between charge carriers and ionic rearrangements. Here, we investigate the interaction of photogenerated electrons and ionic polarizations in single-crystal 2D perovskite butylammonium lead iodide (BAPI), varying the inorganic lamellae thickness in the 2D single crystals. We determine the directionality of the transition dipole moments (TDMs) of the relevant phonon modes (in the 0.3-3 THz range) by the angle- and polarization-dependent THz transmission measurements. We find a clear anisotropy of the in-plane photoconductivity, with a ∼10% reduction along the axis parallel with the transition dipole moment of the most strongly coupled phonon. Detailed calculations, based on Feynman polaron theory, indicate that the anisotropy originates from directional electron-phonon interactions.

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Prohibited additives in infant formula severely affect the health of infants. Terahertz (THz) spectroscopy has enormous application potential in analyte detection due to its rich fingerprint information content. However, there is limited research on the mixtures of multiple analytes. In this study, we propose a split ring metasurface that supports magnetic dipole bound states in the continuum (BIC). By breaking the symmetry, quasi-BIC with a high quality (Q) factor can be generated. Utilizing an angle-scanning strategy, the frequency of the resonance dip can be shifted, resulting in the plotting of an envelope curve which can reflect the molecular fingerprint of the analytes. Two prohibited additives found in infant formula, melamine and vanillin, can be identified in different proportions. Furthermore, a metric similar to the resolution in chromatographic analysis is introduced and calculated to be 0.61, indicating that these two additives can be detected simultaneously. Our research provides a new solution for detecting additives in infant formula.

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Zero-valent intercalation of atomic metals into the van der Waals gap of layered materials can be used to tune their electronic, optical, thermal, and mechanical properties. Here, we report the impact of intercalating ∼3 atm percent of zero-valent copper into germanium sulfide (GeS). Advanced many-body calculations predict that copper introduces quasi-localized intermediate band states, and time-resolved THz spectroscopy studies demonstrate that those states have prominent effects on the photoconductivity of GeS. Cu-intercalated GeS exhibits a faster rise of transient photoconductivity and a shorter lifetime of optically injected carriers following near-gap excitation with 800 nm pulses. At the same time, Cu intercalation improves free carrier mobility from 1100 to 1300 cm2 V-1 s-1, which we attribute to the damping of acoustic phonons observed in Brillouin scattering and consequent reduction of phonon scattering.

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The substitution of fluorine atoms for oxygen atoms/hydroxyl groups has emerged as a promising strategy to enhance the physical and chemical properties of oxides/hydroxides in fluorine chemistry. However, distinguishing fluorine from oxygen/hydroxyl in the reaction products poses a significant challenge in existing characterization methods. In this study, we illustrate that terahertz (THz) spectroscopy provides a powerful tool for addressing this challenge. To this end, we investigated two fluorination reactions of boric acid, utilizing MHF2 (M=Na, C(NH2)3) as fluorine reagents. Through an interplay between THz spectroscopy and solid-state density functional theory, we have conclusively demonstrated that fluorine atoms exclusively bind with the sp3-boron but not with the sp2-boron in the reaction products of Na[B(OH)3][B3O3F2(OH)2] (NaBOFH) and [C(NH2)3]2B3O3F4OH (GBF2). Based on this evidence, we have proposed a reaction pathway for the fluorinations under investigation, a process previously hindered due to structural ambiguity. This work represents a step forward in gaining a deeper understanding of the precise structures and reaction mechanisms involved in the fluorination of oxides/hydroxides, illuminated by the insights provided by THz spectroscopy.

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We present evidence of a strong circular photon drag effect (PDE) in topological insulators (TIs) through the observation of helicity-dependent topological photocurrents with threefold rotational symmetry using THz spectroscopy in epitaxially-grown Bi2Se3 with reduced crystallographic twinning. We establish how twinned domains introduce competing nonlinear optical (NLO) responses inherent to the crystal structure that obscure geometry-sensitive optical processes through the introduction of a spurious mirror symmetry. Minimizing the twinning defect reveals strong NLO response currents whose magnitude and direction depend on the alignment of the excitation to the crystal axes and follow the threefold rotational symmetry of the crystal. Notably, photocurrents arising from helical light reverse direction for left/right circular polarizations and maintain a strong azimuthal dependence-a result uniquely attributable to the circular PDE, where the photon momentum acts as an applied in-plane field stationary in the laboratory frame. Our results demonstrate new levels of control over the magnitude and direction of photocurrents in TIs and that the study of single-domain films is crucial to reveal hidden phenomena that couple topological order and crystal symmetries.

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In a previous study[1] we could show that a large amplitude mode of the zwitterion glycine can serve as a sensitive probe for protonation and allows to deduce local pKa values. Here we show that the underlying concept is more general: We present the results of a pH dependent measurement of Terahertz-FTIR (THz-FTIR) spectra of solvated amines, i. e. Diethylamine (DEA), Triethylamine (TEA), and Diisopropylamine (DiPA). We show that amines serve as a sensitive, label free probe for local protonation. Protonation of the amines yield intensity changes which can be quantified by precise THz spectroscopy (30 cm-1 -450 cm-1 ). A detailed analysis allows us to correlate the titration spectra of solvated amines in the THz range with pKa values. This demonstrates the potential of THz spectroscopy to probe the charge state of biomolecules in water in a label free manner.

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CdSe nanoplatelets (NPLs) are promising 2D semiconductors for optoelectronic applications, in which efficient charge transport properties are desirable. It is reported that thermal annealing constitutes an effective strategy to control the optical absorption and electrical properties of CdSe NPLs by tuning the inter-NPL distance. Combining optical absorption, transmission electron microscopy, and thermogravimetric analysis, it is revealed that the thermal decomposition of ligands (e.g., cadmium myristate) governs the inter-NPL distance and thus the inter-NPL electronic coupling strength. Employing ultrafast terahertz spectroscopy, it is shown that this enhanced electronic coupling increases both the free carrier generation efficiency and the short-range mobility in NPL solids. The results show a straightforward method of controlling the interfacial electronic coupling strength for developing functional optoelectronic devices through thermal treatments.

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The hydration of biomolecules is one of the fundamental processes underlying the construction of living matter. The formation of the native conformation of most biomolecules is possible only in an aqueous environment. At the same time, not only water affects the structure of biomolecules, but also biomolecules affect the structure of water, forming hydration shells. However, the study of the structure of biomolecules is given much more attention than their hydration shells. A real breakthrough in the study of hydration occurred with the development of the THz spectroscopy method, which showed that the hydration shell of biomolecules is not limited to 1-2 layers of strongly bound water, but also includes more distant areas of hydration with altered molecular dynamics. This review examines the fundamental features of the THz frequency range as a source of information about the structural and dynamic characteristics of water that change during hydration. The applied approaches to the study of hydration shells of biomolecules based on THz spectroscopy are described. The data on the hydration of biomolecules of all main types obtained from the beginning of the application of THz spectroscopy to the present are summarized. The emphasis is placed on the possible participation of extended hydration shells in the realization of the biological functions of biomolecules and at the same time on the insufficient knowledge of their structural and dynamic characteristics.

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Efficient charge-carrier transport is critical to the success of emergent semiconductors in photovoltaic applications. So far, disorder has been considered detrimental for charge-carrier transport, lowering mobilities, and causing fast recombination. This work demonstrates that, when properly engineered, cation disorder in a multinary chalcogenide semiconductor can considerably enhance the charge-carrier mobility and extend the charge-carrier lifetime. Here, the properties of AgBiS2 nanocrystals (NCs) are explored as a function of Ag and Bi cation-ordering, which can be modified via thermal-annealing. Local Ag-rich and Bi-rich domains formed during hot-injection synthesis are transformed to induce homogeneous disorder (random Ag-Bi distribution). Such cation-disorder engineering results in a sixfold increase in the charge-carrier mobility, reaching ≈2.7 cm2 V-1 s-1 in AgBiS2 NC thin films. It is further demonstrated that homogeneous cation disorder reduces charge-carrier localization, a hallmark of charge-carrier transport recently observed in silver-bismuth semiconductors. This work proposes that cation-disorder engineering flattens the disordered electronic landscape, removing tail states that would otherwise exacerbate Anderson localization of small polaronic states. Together, these findings unravel how cation-disorder engineering in multinary semiconductors can enhance the efficiency of renewable energy applications.

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This study examined the content of nicotine-delivery products using terahertz time-domain spectroscopy (THz-TDS) and breath ethylene investigated with CO2 laser photoacoustic spectroscopy (CO2 LPAS) system as a biomarker of oxidative stress after smoking. The THz-TDS method provided valuable information on the transmission spectra of tobacco and nicotine in smoking products. From the CO2 LPAS data it was observed that in cigarette (TC) smoking the mean breath ethylene was 687 parts per billion (ppb), while in electronic cigarettes and tobacco heating devices smoking the mean ethylene was 56 ppb and 48 ppb, respectively. The main finding was that TC showed higher transmission in the THz region producing a higher oxidative stress on the body.

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Starting from lattice dynamics, Ginzburg Landau Theory is used to study phonon contributions to the effective vortex mass of a moving Abrikosov lattice driven by a small driving force, in this case circularly polarized light. A general expression is obtained of dynamical additional mass, which is capable of including both acoustic and optical phonon contributions. At the level of linear response, this frequency-dependent mass increases with driving frequency. After reaching a maximum at the frequency corresponding to the eigenvalue of the wave vector matching the coherence length, the mass begins to decrease, and eventually changes sign crossing to an effective pinning regime at high frequency. These calculations are applied to experimental results of YBCO (Teasret al2021Sci. Rep.1121708).

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Highly sensitive detection of enhanced terahertz (THz) fingerprint absorption spectrum of trace-amount tiny molecules is essential for biosensing. THz surface plasmon resonance (SPR) sensors based on Otto prism-coupled attenuated total reflection (OPC-ATR) configuration have been recognized as a promising technology in biomedical detection applications. However, THz-SPR sensors based on the traditional OPC-ATR configuration have long been associated with low sensitivity, poor tunability, low refractive index resolution, large sample consumption, and lack of fingerprint analysis. Here, we propose an enhanced tunable high-sensitivity and trace-amount THz-SPR biosensor based on a composite periodic groove structure (CPGS). The elaborate geometric design of the spoof surface plasmon polaritons (SSPPs) metasurface increases the number of electromagnetic hot spots on the surface of the CPGS, improves the near-field enhancement effect of SSPPs, and enhances the interaction between THz wave and the sample. The results show that the sensitivity (S), figure of merit (FOM) and Q-factor (Q) can be increased to 6.55 THz/RIU, 4234.06 1/RIU and 629.28, respectively, when the refractive index range of the sample to measure is between 1 and 1.05 with the resolution 1.54×10-5 RIU. Moreover, by making use of the high structural tunability of CPGS, the best sensitivity (SPR frequency shift) can be obtained when the resonant frequency of the metamaterial approaches the biological molecule oscillation. These advantages make CPGS a strong candidate for the high-sensitivity detection of trace-amount biochemical samples.

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The identification of gas mixture speciation from a complex multicomponent absorption spectrum is a problem in gas sensing that can be addressed using machine-learning approaches. Here, we report on a deep convolutional neural network for multigas classification using terahertz (THz) absorption spectra, THz spectra mixture classifier network or TSMC-Net. TSMC-Net has been developed to identify eight volatile organic compounds in mixtures based on their fingerprint rotational absorption spectra in the 220-330 GHz frequency range. A data set consisting of simulated absorption spectra for randomly generated mixtures, with absorption greater than thresholds representing detectable limits and annotated with multiple labels, was prepared for model development. The supervised multilabel classification problem, i.e., the identification of individual gases in a mixture, is converted to a supervised multiclass classification problem via label powerset conversion. The trained model is validated and tested against simulated spectra for gas mixtures, with and without white Gaussian noise. The trained model exhibits high precision, recall, and accuracy for each pure compound. Class activation maps illustrate the complex decision-making process of the model and highlight relevant frequency regions that are needed to identify unique mixtures. Finally, the model was demonstrated against measured THz absorption spectra for pure species and mixtures, acquired using a microelectronics-based THz absorption spectrometer. The data set generation strategy and deep convolutional neural network approach are generalized and can be extrapolated to other spectroscopy types, frequency ranges, and sensors.

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The Orbiting Astronomical Satellite for Investigating Stellar Systems (OASIS), a proposed Astrophysics MIDEX-class mission concept, has an innovative 14-meter diameter inflatable primary mirror that will provide the sensitivity to study far-infrared continuum and line emission from galaxies at all redshifts with high spectral resolution heterodyne receivers. OASIS will have the sensitivity to follow the water trail from galaxies to the comets that create oceans. It will bring an understanding of the role of water in galaxy evolution and its part of the oxygen budget, by measuring water emission from local to intermediate redshift galaxies, observations that have not been possible from the ground. Observation of the ground-state HD line will accurately measure gas mass in a wide variety of astrophysical objects. Thanks to its exquisite spatial resolution and sensitivity, OASIS will, during its one-year baseline mission, detect water in galaxies with unprecedented statistical significance. This paper reviews the extragalactic science achievable and planned with OASIS.

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BaTiO3 (BTO) nanoparticles produced by wet chemistry methods were embedded in several types of flexible materials in order to fabricate flexible electronic devices. Starting from the produced nanoparticle dielectric properties, flexible material dielectric properties were tested for high electromagnetic frequencies (30 GHz-2 THz) using time domain spectroscopy. Dielectric performances of the different materials obtained with variable nanoparticle concentrations up to 40 wt.%, embedded in, gelatin, epoxy, and styrene-butadiene were compared at several working temperatures between 0 °C and 120 °C. Beside the general trend of ε' decrease with temperature and loses increase with the operating frequency, we were able to identify few matrix dependent optimal nanoparticle concentrations. The best composite performances were achieved by the BTO-SBS matrix, with filler concentration of 2 wt.%, where the losses have been of 1.5%, followed by BTO-gelatin matrix, with filler concentration of 40 wt.%, with higher losses percent of almost 10% for THz frequencies.

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The photo-induced radiolysis of water is an elementary reaction in biology and chemistry, forming solvated electrons, OH radicals, and hydronium cations on fast time scales. Here, we use an optical-pump terahertz-probe spectroscopy setup to trigger the photoionization of water molecules with optical laser pulses at ~400 nm and then time-resolve the transient solvent response with broadband terahertz (THz) fields with a ~90 fs time resolution. We observe three distinct spectral responses. The first is a positive broadband mode that can be attributed to an initial diffuse, delocalized electron with a radius of (22 ± 1) Å, which is short lived (<200 fs) because the absorption is blue-shifting outside of the THz range. The second emerging spectroscopic signature with a lifetime of about 150 ps is attributed to an intermolecular mode associated with a mass rearrangement of solvent molecules due to charge separation of radicals and hydronium cations. After 0.2 ps, we observe a long-lasting THz signature with depleted intensity at 110 cm-1 that is well reproduced by ab initio molecular dynamics. We interpret this negative band at 110 cm-1 as the solvent cage characterized by a weakening of the hydrogen bond network in the first and second hydration shells of the cavity occupied by the localized electron.