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19 pages, 8162 KB  
Article
Highly Efficient Polarization-Insensitive Wide-Angle Orthogonal Dipole Metasurface for Ambient Energy Harvesting
by Yiqing Wei, Zhensen Gao, Haixia Li and Zhibin Li
Micromachines 2026, 17(5), 563; https://doi.org/10.3390/mi17050563 - 1 May 2026
Abstract
This work proposes a polarization-insensitive scalable wide-angle metasurface array for highly efficient ambient energy harvesting in the 5.8 GHz Wi-Fi band. Inspired by dipole antenna principles, we design an asymmetric planar orthogonal dipole-based metasurface featuring monolithic integration of Schottky diodes (HSMS-2860) at unit [...] Read more.
This work proposes a polarization-insensitive scalable wide-angle metasurface array for highly efficient ambient energy harvesting in the 5.8 GHz Wi-Fi band. Inspired by dipole antenna principles, we design an asymmetric planar orthogonal dipole-based metasurface featuring monolithic integration of Schottky diodes (HSMS-2860) at unit cell feed gaps. This novel direct-impedance-matching strategy eliminates conventional matching networks, reducing energy conversion losses while enabling 99% radiation-to-AC efficiency across all polarization angles at 5.8 GHz. The coplanar architecture interconnects metasurface unit cells via inductors, simultaneously establishing low-loss DC channels and suppressing RF leakage. Fabricated as a 5 × 5 array, the prototype achieves 77.9% peak RF-to-DC efficiency with polarization insensitivity at an incident power of 25 dBm. Furthermore, with incident powers of 15 dBm and 20 dBm, the proposed metasurface array attained RF-to-DC conversion efficiencies exceeding 40% and 60%, respectively. This result indicates that the array is capable of achieving high energy harvesting efficiency across a broad power range. This scalable, drill-free, and polarization-insensitive design demonstrates strong potential for harvesting ambient RF energy in real-world multipath environments. Full article
(This article belongs to the Special Issue Research Progress in Energy Harvesters and Self-Powered Sensors)
17 pages, 1785 KB  
Article
Broadband Dielectric Response of Group-II Metal Oxide Monolayers: From Ionic to Electronic Polarization
by Pei Yin, Dongliang Jia, Dan Tan and Rusen Yang
Micromachines 2026, 17(5), 564; https://doi.org/10.3390/mi17050564 - 1 May 2026
Abstract
The dielectric response provides an integral description of polarization mechanisms across frequency ranges and constitutes a key physical basis for understanding ferroelectric behavior. Here, we systematically investigate the broadband dielectric response of Group-II metal oxide (BeO, MgO, CaO, ZnO, and CdO) monolayers using [...] Read more.
The dielectric response provides an integral description of polarization mechanisms across frequency ranges and constitutes a key physical basis for understanding ferroelectric behavior. Here, we systematically investigate the broadband dielectric response of Group-II metal oxide (BeO, MgO, CaO, ZnO, and CdO) monolayers using first-principles calculation. In the low-frequency regime, ionic polarization governs the dielectric response. A distinctive feature is the LO–TO degeneracy at the Γ point accompanied by a V-shaped nonanalytic LO phonon dispersion. d-state hybridization increases with the metal atomic number, resulting in higher Born effective charge, which works together with phonon softening, reduced mass and unit cell area to significantly strengthen the ionic dielectric contribution. The quasiparticle band gap decreases with the metal atomic number, driving redshifts of the dielectric function and wide band optical response from the deep-ultraviolet to the near-infrared. Particularly, CdO exhibits the strongest electronic polarization, with an optical dielectric constant of 2.68 and a static refractive index of 1.64. This work establishes a complete dielectric spectrum from ionic to electronic polarization, providing theoretical guidance for polarization engineering and design of two-dimensional ferroelectric devices. Full article
(This article belongs to the Special Issue Ferroelectric Materials, Devices and Applications)
24 pages, 4708 KB  
Article
Influence of the TiO2 Precursor Phase on the Properties and Photoelectrooxidation Performance of Black TiO2-Impregnated Electrodes for Acetaminophen Degradation
by Daniel Solarte-Ferro, John Betancourt, José A. Lara Ramos, Mario Millán-Franco, Jesús E. Diosa, Oscar A. Jaramillo-Quintero, Miguel Gracia-Pinilla, Fiderman Machuca-Martínez and Edgar Mosquera-Vargas
Molecules 2026, 31(9), 1509; https://doi.org/10.3390/molecules31091509 - 1 May 2026
Abstract
Black TiO2-impregnated electrodes were prepared via a modified dip-coating method, using six deposition layers to investigate the influence of the TiO2 precursor phase (anatase, rutile, and P25) on their structural and optical properties, as well as their photoelectrooxidation performance toward [...] Read more.
Black TiO2-impregnated electrodes were prepared via a modified dip-coating method, using six deposition layers to investigate the influence of the TiO2 precursor phase (anatase, rutile, and P25) on their structural and optical properties, as well as their photoelectrooxidation performance toward acetaminophen degradation. A reductive thermal treatment under a H2/Ar atmosphere successfully modified the band gap energy and promoted the formation of oxygen vacancies (Vo) and Ti3+ species, as evidenced by UV–Vis diffuse reflectance spectroscopy and photoluminescence analysis. Among the precursor phases, anatase exhibited the most significant band gap reduction, whereas rutile and P25 showed greater structural stability after the reduction process. Photoelectrochemical experiments revealed that the supporting electrolyte plays a dominant role in the degradation process, with significantly higher removal efficiencies observed in chloride medium (0.1 M NaCl) compared with sulfate medium (0.1 M Na2SO4) due to the formation of active chlorine species. Among the tested materials, rutile- and P25-derived electrodes showed the highest degradation efficiencies, reaching concentrations (C/C0) of 0.631 and 0.650, respectively. The results highlight the combined influence of precursor phase, defect structure, and electrolyte composition on the photoelectrooxidation behavior of black TiO2 electrodes and provide insights for the design of electrochemical systems for pharmaceutical contaminants removal. Full article
29 pages, 1949 KB  
Article
Design and Optimization of ZnO–ZnCr2O4 Heterojunction for Enhanced Solar-Light Photocatalytic Degradation of Rhodamine B
by Amira Saidani, Mouna Saidani, Reguia Boudraa, Ikram Boucekine, Karim Fendi, Abderrahim Benabbas, Atmane Djermoune, Abdelhafid Souici, Hamdi Bendif, Mohamed A. M. Ali, Gharieb S. El-Sayyad and Lotfi Mouni
Catalysts 2026, 16(5), 406; https://doi.org/10.3390/catal16050406 - 1 May 2026
Abstract
ZnO–ZnCr2O4 heterojunction nanocomposites were synthesized via co-precipitation with nominal spinel loadings of 10, 20, and 30 wt.% (denoted ZnCr-10, ZnCr-20, ZnCr-30) to evaluate structure–property–performance relationships in photocatalytic dye degradation. Rietveld refinement of XRD data revealed actual crystalline phase fractions of [...] Read more.
ZnO–ZnCr2O4 heterojunction nanocomposites were synthesized via co-precipitation with nominal spinel loadings of 10, 20, and 30 wt.% (denoted ZnCr-10, ZnCr-20, ZnCr-30) to evaluate structure–property–performance relationships in photocatalytic dye degradation. Rietveld refinement of XRD data revealed actual crystalline phase fractions of 12.1%, 32.4%, and 39.9% ZnCr2O4, respectively, with systematic morphological evolution from dispersed nanoparticles (ZnCr-10) to densely agglomerated structures (ZnCr-30) observed by SEM. Optical analysis demonstrated that ZnCr-10 (apparent band gap 3.09 eV) retains ZnO-dominated absorption with moderate interfacial electronic coupling, while ZnCr-20 shows enhanced visible response (2.89 eV) through interface-mediated transitions. ZnCr-30 exhibits strong sub-bandgap absorption (1.63 eV) originating from defect states rather than intrinsic band narrowing. Photoluminescence studies under UV excitation revealed optimal radiative recombination suppression in ZnCr-10, consistent with efficient interfacial charge separation, whereas excessive loading (ZnCr-30) introduced defect-mediated recombination centers. Photocatalytic degradation of Rhodamine B (5 mg/L, 0.5 g/L catalyst, solar irradiation) followed the order: ZnCr-10 (k = 0.0307 min−1) > ZnO (0.0203 min−1) > ZnCr-20 (0.0230 min−1) > ZnCr2O4 (0.0166 min−1) > ZnCr-30 (0.0113 min−1). The optimal ZnCr-10 performance is attributed to balanced interfacial contact between phases enabling charge separation without excessive agglomeration or defect accumulation. Operational parameters (pH 7, 50 mg/100 mL, 100 µL H2O2) were optimized, achieving 98% degradation in 60 min. This study demonstrates that photocatalytic enhancement in ZnO–spinel heterojunctions is governed by interfacial architecture and defect management rather than optical absorption alone, providing design principles for efficient solar-driven environmental remediation. Full article
22 pages, 9153 KB  
Article
Orbital-Driven Stability and Multifunctional Response in XYO3 (X = Nb, Ta; Y = Ag, Au) Cubic Perovskites: A First-Principles Study
by Łukasz Szeleszczuk, Katarzyna Mądra-Gackowska and Marcin Gackowski
Appl. Sci. 2026, 16(9), 4429; https://doi.org/10.3390/app16094429 - 1 May 2026
Abstract
Designing stable and multifunctional perovskite materials with tunable electronic and optical properties is crucial for advancing next-generation optoelectronic and high-temperature applications. In this study, the structural, electronic, optical, mechanical, and thermal properties of XYO3 (X = Nb, Ta; Y = [...] Read more.
Designing stable and multifunctional perovskite materials with tunable electronic and optical properties is crucial for advancing next-generation optoelectronic and high-temperature applications. In this study, the structural, electronic, optical, mechanical, and thermal properties of XYO3 (X = Nb, Ta; Y = Ag, Au) cubic perovskites were systematically investigated using density functional theory (DFT). Each compound crystallized into a cubic perovskite structure and was found to be both thermodynamically and dynamically stable. Hybrid functional (HSE06) calculations indicate semiconducting behavior with band gaps of 1.885 eV (NbAgO3), 1.298 eV (NbAuO3), 3.074 eV (TaAgO3), and 1.801 eV (TaAuO3). The density-of-state analysis reveals strong hybridization between the O-2p and Nb/Ta-d orbitals, which hints at mixed ionic/covalent bonding. Optical properties exhibit large absorption coefficients (about 106 cm−1) in the ultraviolet range and at lower reflectivity, especially of NbAgO3 and TaAgO3, indicating efficient light absorption. NbAgO3 and NbAuO3 possess moderate direct band gaps, making them suitable for optoelectronic and photovoltaic applications, whereas the wide bandgap of TaAgO3 is beneficial in ultraviolet optoelectronic devices. Mechanical analysis confirms the ductile nature of all compounds, with TaAuO3 exhibiting the highest ductility. Thermal analysis indicates that NbAgO3 and TaAgO3 exhibit higher lattice rigidity and thermal conductivity, but NbAuO3 and TaAuO3 are more anharmonic and have higher thermal expansion. Overall, these results demonstrate the multifunctional potential of XYO3 perovskites for applications in optoelectronics, photovoltaics, ultraviolet devices, flexible electronics, and high-temperature environments. Full article
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24 pages, 1477 KB  
Article
Multilayer Residual Perceptron as a Surrogate Model in Optimising the Geometry of a Periodic Beam
by Łukasz Doliński, Wiktor Waszkowiak, Paweł Kowalski and Arkadiusz Żak
Appl. Sci. 2026, 16(9), 4412; https://doi.org/10.3390/app16094412 - 30 Apr 2026
Abstract
The paper presents an optimisation workflow for modelling of a periodic mechanical structure in the form of a multi-material, axisymmetric beam. The optimisation objective is to prescribe the positions and widths of selected band gaps within a target frequency range for three basic [...] Read more.
The paper presents an optimisation workflow for modelling of a periodic mechanical structure in the form of a multi-material, axisymmetric beam. The optimisation objective is to prescribe the positions and widths of selected band gaps within a target frequency range for three basic types of structural vibrations: flexural, longitudinal and torsional. The decision variables were geometric parameters of the unit cell and material properties of selected thermoplastics assigned to successive segments of the cell. The frequency characteristics of the beam were determined using the time-domain spectral finite-element method (TD-SFEM). This model was used to perform a sensitivity analysis using the Morris method, which showed the dominant influence of the beam geometry on the position and width of band gaps, with a relatively smaller role of material variability. Due to high computational costs of the global optimisation based on a FEM solver, a surrogate regression model in the form of a residual MLP network was developed to predict the positions and widths of the first five band gaps for each vibration type. The global search was carried out using a genetic algorithm (GA) with the surrogate model and then the results were refined using a deterministic goal-attainment method with a high-fidelity model. Full article
22 pages, 5751 KB  
Article
Synthesis and Characterization of ZnO/Chitosan Nanocomposites for Photocatalytic Degradation of Tetracycline in Water Media
by Phan Thi Minh Huyen, Luu Tien Hung, Phan Thi Hong Tuyet, Nguyen Huy Dan, Luu Thi Viet Ha, Tran Thi Nhu Quynh and Nguyen Xuan Dung
Polymers 2026, 18(9), 1114; https://doi.org/10.3390/polym18091114 - 30 Apr 2026
Abstract
Antibiotic contamination of water, particularly tetracycline (TC), poses significant environmental risks and requires sustainable treatment solutions. This study reports a green and cost-effective synthesis of a ZnO/chitosan nanocomposite (ZnO/CS) for photocatalytic TC removal. ZnO nanoparticles were synthesized using lime juice as a natural [...] Read more.
Antibiotic contamination of water, particularly tetracycline (TC), poses significant environmental risks and requires sustainable treatment solutions. This study reports a green and cost-effective synthesis of a ZnO/chitosan nanocomposite (ZnO/CS) for photocatalytic TC removal. ZnO nanoparticles were synthesized using lime juice as a natural stabilizing agent and subsequently incorporated into a chitosan matrix. The physicochemical properties of the composite were characterized by X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), UV-Vis diffuse reflectance spectroscopy (UV-Vis DRS), scanning electron microscopy coupled with energy-dispersive X-ray spectroscopy (SEM-EDX), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), and Brunauer-Emmett-Teller (BET) surface area analysis. The results confirmed the successful formation of hexagonal wurtzite ZnO and strong interfacial interactions between ZnO nanoparticles and the –NH2/–OH functional groups of chitosan. The incorporation of chitosan significantly increased the specific surface area from 10.7 to 21.7 m2 g−1 and reduced the band gap from 3.18 to 3.03 eV, thereby improving visible-light absorption. The photocatalytic performance was evaluated under varying pH, initial TC concentration, and catalyst dosage, with optimal conditions identified at pH 6, 20 mg/L TC, and 1 g/L catalyst. Under these conditions, the ZnO/CS nanocomposite achieved 94.1% TC degradation within 120 min under visible-light irradiation. Scavenger experiments revealed that •OH and •O2 radicals are the dominant reactive species, and a possible degradation mechanism was proposed. These findings demonstrate the potential of the green-synthesized ZnO/CS nanocomposite for antibiotic removal from aqueous environments. Full article
(This article belongs to the Section Polymer Composites and Nanocomposites)
14 pages, 4088 KB  
Article
Multi-Objective Optimization Design of Doherty Power Amplifier Circuits Based on Non-Dominated Sorting Genetic Algorithm-II
by Hanbin Qu, Xiaopeng Zhang, Sixin Gao and Silu Yan
Micromachines 2026, 17(5), 556; https://doi.org/10.3390/mi17050556 - 30 Apr 2026
Abstract
Conventional optimization algorithms face challenges such as lengthy computation times, premature termination at non-convergent points, and the generation of local optima when addressing multi-objective optimization. A multi-objective optimization method based on the Non-dominated Sorting Genetic Algorithm-II (NSGA-II) is proposed for optimizing Doherty power [...] Read more.
Conventional optimization algorithms face challenges such as lengthy computation times, premature termination at non-convergent points, and the generation of local optima when addressing multi-objective optimization. A multi-objective optimization method based on the Non-dominated Sorting Genetic Algorithm-II (NSGA-II) is proposed for optimizing Doherty power amplifier circuits. The pre-layout simulation results show that, compared to traditional design methods, the optimized Doherty power amplifier circuit achieves a 6.4% increase in saturation efficiency, a 3.3% increase in 6 dB roll-off efficiency, and a 1 dB increase in saturation output power at 2.63 GHz. This approach enables multi-objective optimization design for more complex PA circuits and enhances the overall circuit performance. Full article
(This article belongs to the Special Issue Integrated RF MEMS and Applications)
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17 pages, 2574 KB  
Communication
Self-Powered Triboelectric Vibration Sensor with Gap-and-Substrate-Tuned Design for Real-Time Monitoring of Automotive Engine Operating States
by Min Seok Jang, Jiyong Park and Young Won Kim
Sensors 2026, 26(9), 2726; https://doi.org/10.3390/s26092726 - 28 Apr 2026
Viewed by 371
Abstract
Continuous monitoring of vehicle engine vibration is a key enabler of real-time diagnostics, yet conventional accelerometers require an external power supply and fit poorly into the distributed sensor networks envisioned for next-generation vehicles. Triboelectric nanogenerators offer an attractive self-powered alternative, but their direct [...] Read more.
Continuous monitoring of vehicle engine vibration is a key enabler of real-time diagnostics, yet conventional accelerometers require an external power supply and fit poorly into the distributed sensor networks envisioned for next-generation vehicles. Triboelectric nanogenerators offer an attractive self-powered alternative, but their direct application to the vibration of a running passenger vehicle engine, and the explicit link between sensor design parameters and individual engine operating states, remains largely unexplored. Here, we address this gap by co-tuning the air gap and the substrate rigidity of a contact-separation triboelectric vibration sensor to the vibration spectrum of an automotive engine. A systematic 3 × 3 design sweep across three gap distances and three substrate types identifies a single configuration that simultaneously resolves the low-frequency idle band and the higher-frequency acceleration band of a four-cylinder gasoline engine. A frequency-amplitude response map confirms that the real engine operating points fall within the sensitive region of the optimized device, and an on-vehicle test demonstrates clean discrimination of all seven operating states, from ready to shut-down, without any external power. The results establish design guidelines for source-matched triboelectric vibration sensors and outline a practical path toward self-powered, wireless-ready engine health monitoring in future vehicles. Full article
(This article belongs to the Section Nanosensors)
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30 pages, 9740 KB  
Article
Spiral-Loop Sequential-Phase-Fed Radial-Sector Patch CP Antenna with Metasurface Superstrate and Parasitic Elements for S-Band CubeSats
by Apiwat Jirawattanaphol, Nathapat Supreeyatitikul, Kentaro Kitamura and Mengu Cho
Technologies 2026, 14(5), 263; https://doi.org/10.3390/technologies14050263 - 27 Apr 2026
Viewed by 133
Abstract
This work presents a spiral-loop sequential-phase (SLSP)-fed radial-sector patch circularly polarized (CP) antenna for S-band CubeSat platforms. The architecture stacks three RO4003C substrates in an aluminum enclosure: a lower layer with tapered-blade parasitic elements, a middle layer with the SLSP feed and four [...] Read more.
This work presents a spiral-loop sequential-phase (SLSP)-fed radial-sector patch circularly polarized (CP) antenna for S-band CubeSat platforms. The architecture stacks three RO4003C substrates in an aluminum enclosure: a lower layer with tapered-blade parasitic elements, a middle layer with the SLSP feed and four radial-sector patches, and an upper tilted hexagonal metasurface superstrate separated by an air-gap. Characteristic mode analysis is used to realize an orthogonal modal pair. A prototype integrated on a CubeSat structure was measured in an anechoic chamber and validated under vibration and thermal-vacuum testing per ECSS/NASA practices. The antenna achieves a measured return loss bandwidth of 2–2.34 GHz, an axial ratio bandwidth of 2.04–2.25 GHz, and a maximum gain of 7.24 dBic at 2.18 GHz. The metasurface and parasitic elements enhance bandwidth while maintaining boresight CP. The novelty lies in the integration of SLSP-fed radial-sector patches with a tilted hexagonal metasurface superstrate and tapered-blade parasitic elements within a compact stacked configuration, making the proposed antenna well suited for CubeSat S-band applications. Full article
(This article belongs to the Special Issue Antenna and RF Circuit Advances for Next-Generation Wireless Systems)
33 pages, 15454 KB  
Article
Physics-Guided Multitask Learning for Joint Prediction of Band Gap and Static Dielectric Response in Oxide ABO3 Perovskites
by Yu Sun, Yihang Qin, Wenhao Chen, Wenhui Zhao and Haoran Sun
Crystals 2026, 16(5), 288; https://doi.org/10.3390/cryst16050288 - 27 Apr 2026
Viewed by 146
Abstract
Oxide perovskites with simultaneously large band gaps and high-static dielectric constants are of considerable interest for advanced microelectronics, dielectric devices, and energy storage applications, yet their discovery remains challenging because electronic insulation, lattice polarizability, and thermodynamic accessibility are strongly coupled and often mutually [...] Read more.
Oxide perovskites with simultaneously large band gaps and high-static dielectric constants are of considerable interest for advanced microelectronics, dielectric devices, and energy storage applications, yet their discovery remains challenging because electronic insulation, lattice polarizability, and thermodynamic accessibility are strongly coupled and often mutually competitive. Here, we develop a physics-guided multitask learning framework for the joint prediction of the band gap and static dielectric response in chemically constrained single-perovskite oxide ABO3 compounds. To ensure data fidelity and physical comparability, the learning space is strictly restricted to simple oxide ABO3 perovskites from the Materials Project, while mixed-fidelity band gaps, heterogeneous dielectric definitions, and chemically inconsistent samples are excluded. The model integrates role-aware A-/B-site descriptors, perovskite-specific geometric and structural features, multitask prediction of Eg, εtotal, εelectronic, and εionic, explicit physical consistency constraints, auxiliary candidate classification, ranking learning, and reliability-aware screening with uncertainty and out-of-distribution control. Under B-site-grouped cross-validation, the framework achieves 97.4% accuracy, Recall of 96.5%, and an F1 score of 96.1%, while maintaining robust transferability on the independent JARVIS validation set. The results show that high-gap/high-k candidates occupy a chemically non-random subspace governed by B-site-centered electronic–lattice coupling, and that physically consistent multitask learning substantially improves both predictive coherence and candidate enrichment. More broadly, this study establishes a data-consistent, physics-constrained, and transferable paradigm for the intelligent discovery of functional oxide dielectrics. Full article
(This article belongs to the Special Issue Perovskites: Crystal Structure, Properties and Applications)
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26 pages, 3747 KB  
Article
Biotemplated Artificial Olive Leaf-Structured TiO2 Decorated with Pt and Au for Enhanced Photocatalytic Hydrogen Production
by Juan Martín-Gómez, Jesús Hidalgo-Carrillo, M. Carmen Herrera-Beurnio, Alejandro Ariza-Pérez, Alberto Marinas and Francisco J. Urbano
Biomimetics 2026, 11(5), 300; https://doi.org/10.3390/biomimetics11050300 - 26 Apr 2026
Viewed by 245
Abstract
Biotemplated strategies inspired by natural architecture have emerged as an effective strategy to improve the performance of photocatalytic materials. In this work, TiO2-based photocatalysts were synthesized using olive leaves as a biological template to reproduce their hierarchical microstructure and enhance photocatalytic [...] Read more.
Biotemplated strategies inspired by natural architecture have emerged as an effective strategy to improve the performance of photocatalytic materials. In this work, TiO2-based photocatalysts were synthesized using olive leaves as a biological template to reproduce their hierarchical microstructure and enhance photocatalytic hydrogen production. The artificial olive leaf (AOL) support was obtained through a biotemplated ion-exchange process followed by hydrolysis and calcination. It was then modified by photodeposition of Au or Pt nanoparticles. The materials were characterized by SEM, XRD, N2 adsorption–desorption, UV–Vis spectroscopy, and XPS to evaluate their structural and optical properties. SEM confirmed the successful replication of both the external morphology and internal architecture of the olive leaf, while XRD revealed low crystallinity with anatase as the only TiO2 phase. Optical characterization showed a reduced band gap (~2.97 eV), and extended absorption toward the visible region, with Au nanoparticles exhibiting a plasmonic band at ~550 nm, whereas Pt enhanced light-harvesting efficiency. XPS indicated the presence of oxygen vacancies and Ti3+ species that promote metal–support interactions. Photocatalytic glycerol photoreforming showed a strong enhancement in hydrogen production after noble metal incorporation, reaching up to 14-fold under UV irradiation and 23-fold under simulated solar light for the Pt-modified catalyst, highlighting the synergy between biotemplated structuring and noble metal deposition. Full article
(This article belongs to the Special Issue Bioinspired Structural Materials for Energy Applications)
15 pages, 2434 KB  
Article
Linear and Nonlinear Dynamics of Crystals with B2 (CsCl) Structure
by Dina U. Abdullina, Sergey V. Dmitriev, Ilya S. Sugonyako, Arseny M. Kazakov and Elena A. Korznikova
Crystals 2026, 16(5), 286; https://doi.org/10.3390/cryst16050286 - 25 Apr 2026
Viewed by 274
Abstract
This study investigates the phenomenon of supratransmission in three-dimensional crystals with a B2 (CsCl) structure, employing classical molecular dynamics with β-Fermi–Pasta–Ulam–Tsingou potentials up to fourth-nearest neighbors. We analyze energy transfer from a harmonically driven surface into the crystal bulk across various frequency regimes [...] Read more.
This study investigates the phenomenon of supratransmission in three-dimensional crystals with a B2 (CsCl) structure, employing classical molecular dynamics with β-Fermi–Pasta–Ulam–Tsingou potentials up to fourth-nearest neighbors. We analyze energy transfer from a harmonically driven surface into the crystal bulk across various frequency regimes relative to the phonon spectrum. While low-amplitude excitation results in energy transmission only within the phononic bands, high-amplitude driving triggers supratransmission in the phononic gap and above the optical band. Our results demonstrate that in these nonlinear regimes, energy is transported not by linear phonon waves but by discrete breathers (DBs) emitted quasi-periodically from the surface. A key finding is the distinct sublattice selectivity of these excitations: gap DBs propagate primarily along the heavy atom sublattice, whereas above-spectrum DBs travel along the light atom sublattice. We quantify the velocities and oscillation periods of these localized modes, revealing their critical role in bypassing linear spectral restrictions. These findings provide new insights into nonlinear energy transport in binary alloys and suggest potential applications for controlling heat flow and signal processing in crystals. Full article
(This article belongs to the Section Inorganic Crystalline Materials)
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12 pages, 2592 KB  
Article
Cerium-Doped ZnO Thin Films for Photocatalysts
by Pavlina Bancheva-Koleva, Stephan Kozhukharov, Christian Girginov, Ivo Banchev, Plamen Petkov, Tamara Petkova and Georgi Avdeev
Materials 2026, 19(9), 1739; https://doi.org/10.3390/ma19091739 - 24 Apr 2026
Viewed by 122
Abstract
In this work, Ce-doped ZnO thin films at various contents of cerium were deposited on glass substrates by thermal vacuum evaporation to study the influence of Ce concentration on their optical, structural, morphological, and photocatalytic behavior. Pure ZnO and Ce-doped ZnO films doped [...] Read more.
In this work, Ce-doped ZnO thin films at various contents of cerium were deposited on glass substrates by thermal vacuum evaporation to study the influence of Ce concentration on their optical, structural, morphological, and photocatalytic behavior. Pure ZnO and Ce-doped ZnO films doped with 2% and 5% Ce were characterized by SEM, XRD, AFM, UV–VIS spectroscopy, and ellipsometry. The XRD analysis confirmed that all the films retained the hexagonal wurtzite structure, while Ce incorporation induced lattice strain and reduced crystallite size, particularly at higher doping levels. SEM and AFM studies showed that films with 2% Ce exhibited smaller grain size and lower roughness, whereas 5% Ce-doped films showed grain growth and increased roughness. Pure ZnO films displayed high transparency (>90%), whereas Ce incorporation caused a red shift in the absorption edge and narrowing of the optical band gap due to defect-related states and lattice distortion. Photocatalytic experiments revealed that Ce doping improved charge carrier separation and increased the number of oxygen vacancies. Among all samples, the 2% Ce-doped ZnO film demonstrated the highest photocatalytic efficiency. These findings highlight the importance of controlled Ce doping in tuning the microstructure, optical properties, and photocatalytic performance of ZnO thin films, making them suitable for environmental remediation and optoelectronic applications. Full article
26 pages, 5583 KB  
Article
One-Step Calcined Bi-Doped g-C3N4: Surface–Interface Mechanism for Ciprofloxacin Photocatalytic Degradation
by Yuan Tian, Xian Liu, Tianqi Ren, Wen Pan and Qiyao Zhang
Catalysts 2026, 16(5), 378; https://doi.org/10.3390/catal16050378 - 24 Apr 2026
Viewed by 293
Abstract
The widespread presence of ciprofloxacin (CIP) in aquatic environments threatens ecological and public health, yet conventional treatment processes fail to remove such persistent contaminants. Conventional solvothermal synthesis of Bi-doped g-C3N4 photocatalysts involves complicated procedures and low productivity. Herein, we employ [...] Read more.
The widespread presence of ciprofloxacin (CIP) in aquatic environments threatens ecological and public health, yet conventional treatment processes fail to remove such persistent contaminants. Conventional solvothermal synthesis of Bi-doped g-C3N4 photocatalysts involves complicated procedures and low productivity. Herein, we employ a single-step, template-free and solvent-free green calcination method to construct Bi3+-modified g-C3N4 with strong Bi-N coordination interactions. A series of Bi/g-C3N4 photocatalysts with Bi-doping mass ratios of 0.09–0.34 wt% was prepared, and the structure–performance relationship as well as the surface–interface reaction mechanism for ciprofloxacin (CIP) degradation were systematically elucidated. Experimental results confirm that Bi3+ incorporates into the lattice via Bi-N coordination bonds with nitrogen in the g-C3N4 framework, which narrows the band gap, suppresses photogenerated carrier recombination, and constructs a loose porous morphology beneficial for increasing specific surface area and active sites. Under optimal conditions, 15Bi/g-C3N4 achieves 97.6% degradation of 15 mg L−1 CIP within 90 min, which is 13.7% higher than that of pristine g-C3N4. The effects of catalyst dosage, initial pH, CIP concentration, common coexisting ions, and different real water matrices on the degradation performance were systematically investigated. Radical quenching experiments combined with ESR characterization confirm that h+ is the dominant reactive species responsible for CIP degradation. This green, simple and scalable method yields uniform products, and the resulting materials exhibit high efficiency, economic feasibility and environmental safety, demonstrating promising potential for antibiotic wastewater treatment. Full article
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