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24 pages, 4728 KB  
Article
ZVI@MnFe2O4/Polythiophene Heterojunction as a Visible-Light-Driven Photo-Fenton Catalyst for Wastewater Treatment
by Misbah Muzzamal, Ahmad Farhan, Saima Noreen, Abdullah A. Algethami, Hafiz Tauqeer Ali, Muhammad Zahid, Asim Jilani and Hussameldin Ibrahim
Catalysts 2026, 16(8), 736; https://doi.org/10.3390/catal16080736 - 18 Aug 2026
Viewed by 263
Abstract
The synthetic industry has shortened human lifespans because of environmental contamination. Numerous physicochemical methods can be used to decompose the released organic contaminants, but heterogeneous photocatalysis stands out among them. The creation of a novel sunlight-active heterogeneous photocatalyst, ZVI@MnFe2O4/PTh, [...] Read more.
The synthetic industry has shortened human lifespans because of environmental contamination. Numerous physicochemical methods can be used to decompose the released organic contaminants, but heterogeneous photocatalysis stands out among them. The creation of a novel sunlight-active heterogeneous photocatalyst, ZVI@MnFe2O4/PTh, for possible degradation of RhB dye is discussed in this study. The nanocomposite was fabricated using the hydrothermal method and in situ polymerization of thiophene. The ternary composite photocatalyst (ZVI@MnFe2O4/PTh) and photocatalysts (ZVI@MnFe2O4 and MnFe2O4/PTh) were well characterized in terms of structure (Fourier transform infrared spectroscopy), morphology (scanning electron microscopy), composition (energy-dispersive X-ray), and crystallinity (X-ray diffraction). UV–visible spectroscopic analysis (Tauc plot) was used to determine the energy bandgaps of catalysts. The characterization study supports the successful assembly of ZVI@MnFe2O4 nanoparticles and polythiophene. To evaluate the photocatalytic performance, the photocatalytically helped degradation of Rhodamine B dye from wastewater was also investigated over the new catalysts. The designed heterojunction enhances photogenerated charge separation and stimulates the photocatalytic process. The proposed study’s findings demonstrated that the novel composite’s sunlight-active photocatalytic effectiveness (99% in 90 min at pH 4) was enhanced against the degradation of Rhodamine B dye. Different models were utilized to predict the reaction’s kinetics, and RSM was utilized as a statistical technique to examine the individual and then interaction effects of the influencing parameters. The RSM results were supported by the numerical values of the optimized parameters, which were pH = 4, H2O2 = 10 mM, and composite dose = 20 mg/50 mL, utilizing a 100 ppm RhB solution. Full article
(This article belongs to the Special Issue Nanomaterial Catalysts for Wastewater Treatments)
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16 pages, 6152 KB  
Article
Structural Characterization, Hirshfeld Surface Analysis, Thermal Behavior and Optical Bandgap of N,N′-bis(Phosphonomethyl)pyromellitimide
by Kenya V. Medina, Juan L. Pinedo, Katia Campos, Callah Preti, Kenya Rosas, Erick Morales Orrante, Josemaria S. Soriano, Hadi D. Arman and Pius O. Adelani
Crystals 2026, 16(8), 506; https://doi.org/10.3390/cryst16080506 - 1 Aug 2026
Viewed by 266
Abstract
The condensation reaction of pyromellitic dianhydride and (aminomethyl)phosphonic acid in imidazole yielded N,N′-bis(phosphonomethyl)pyromellitimide ([(H2O3P)CH2-(C10H2N2O4)-CH2(PO3H2)]∙2H2O). Recrystallization of this compound from deionized water, [...] Read more.
The condensation reaction of pyromellitic dianhydride and (aminomethyl)phosphonic acid in imidazole yielded N,N′-bis(phosphonomethyl)pyromellitimide ([(H2O3P)CH2-(C10H2N2O4)-CH2(PO3H2)]∙2H2O). Recrystallization of this compound from deionized water, by placing the solution in a desiccator to allow slow diffusion of HCl, afforded suitable single crystals for X-ray crystallographic studies. The compound crystallizes in the monoclinic space group P21/n. The flexible methylene phosphonic acid groups appended to both nitrogen termini adopt a trans configuration. The phosphonate and carbonyl groups (acceptors: P=O and C=O), together with water molecules [donor: O(6)—H∙∙∙O], participate in an extensive network of hydrogen-bonding interactions. Two of the phosphonate groups are protonated as P—OH (donors) and interact with oxygen atoms of neighboring phosphonate groups and water molecules. Hirshfeld surface analysis and associated two-dimensional fingerprint plots indicate that O∙∙∙H/H∙∙∙O (56.1%) contacts are the primary contributors to the crystal packing, followed by H∙∙∙H (16.3%) and C∙∙∙O/O∙∙∙C (13.4%) interactions. No significant π–π interactions were observed. The direct optical bandgap value, estimated from the Tauc plot, is 3.24 eV, indicating semiconducting behavior. The compound also exhibits thermal stability up to ~270 °C. These properties suggest that this compound may be a promising candidate for future investigation in organic electronic and optoelectronic materials. Full article
(This article belongs to the Section Organic Crystalline Materials)
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22 pages, 1912 KB  
Article
Interfacial Activation and Electronic Coupling at Platinum Electrodes Induced by Vitamin B6 and Silver Nanoparticles in Sulfate Electrolyte: A CV-EIS-UV-Vis Study
by Bogdan Tutunaru
Surfaces 2026, 9(3), 59; https://doi.org/10.3390/surfaces9030059 - 2 Jul 2026
Cited by 1 | Viewed by 354
Abstract
This study establishes a unified electrochemical–optical framework to elucidate adsorption-controlled charge transfer and electronic excitation at platinum–electrolyte interfaces modified by biomolecules and metal nanoparticles. Cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), and UV-Vis absorption spectroscopy with Tauc analysis were used to probe transformations [...] Read more.
This study establishes a unified electrochemical–optical framework to elucidate adsorption-controlled charge transfer and electronic excitation at platinum–electrolyte interfaces modified by biomolecules and metal nanoparticles. Cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), and UV-Vis absorption spectroscopy with Tauc analysis were used to probe transformations induced by vitamin B6 (pyridoxine) and silver nanoparticles (nAg) in Na2SO4 aqueous electrolytes. In the supporting electrolyte, platinum behaves as a blocking capacitive interface with nearly symmetric anodic–cathodic charges, high charge-transfer resistance (Rct ≈ 3.14 kΩ·cm2), low double-layer capacitance (Cdl ≈ 4.0 × 10−5 F·cm−2), and deep-UV transitions (Elow ≥ 3.8 eV), confirming the electrochemical inertness of sulfate media. Vitamin B6 molecules interact with the electrode surface and modify the structure of the electrical double layer at the platinum/electrolyte interface, restructuring the double layer, increasing Cdl (≈1.2 × 10−4 F·cm−2), decreasing Rct (≈0.23 kΩ·cm2), and generating irreversible surface-confined anodic processes. Tauc plots yield two transitions (Elow ≈ 2.9 eV; Ehigh ≈ 4.1 eV), attributed to molecular states and weak charge-transfer interactions. The results suggest electronic interactions between the silver nanoparticles and the adsorbed vitamin B6 molecules at the electrode interface. Strong electronic interactions between vitamin B6 and nAg yields ultralow Rct (≈58 Ω·cm2), enhanced pseudocapacitance (Cdl ≈ 2.9 × 10−4 F·cm−2), and red-shifted transitions (Elow ≈ 2.2 eV; Ehigh ≈ 3.7 eV). These results show that adsorption-induced electronic coupling governs interfacial kinetics and optical excitation pathways. Full article
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31 pages, 3743 KB  
Article
Antibacterial Activity and Photocatalytic Properties of Zinc Oxide Nanoparticles Biosynthesized Using Licania tomentosa Leaf Extract: Optimization and Kinetic Studies
by Moudo Thiam, Vanessa O. Arnoldi Pellegrini, Ruth Celestina Condori Mamani, Fernanda Cassieri, Haryne Lizandrey Azevedo Furtado, Michael Santos Ribeiro, Aruanã Joaquim Matheus Costa Rodrigues Pinheiro, Luís Cláudio Nascimento da Silva, Balla D. Ngom, Mario de Oliveira Neto and Igor Polikarpov
Processes 2026, 14(9), 1334; https://doi.org/10.3390/pr14091334 - 22 Apr 2026
Cited by 2 | Viewed by 727
Abstract
Licania tomentosa leaf extract was used to synthesize zinc oxide nanoparticles (ZnO NPs) which were systematically analyzed by X-ray diffraction (XRD), scanning electron microscopy (SEM), UV-Visible (UV-Vis) and Fourier transform infrared (FT-IR) spectroscopies and energy-dispersion X-ray spectroscopy (EDS) methods. Based on XRD scans, [...] Read more.
Licania tomentosa leaf extract was used to synthesize zinc oxide nanoparticles (ZnO NPs) which were systematically analyzed by X-ray diffraction (XRD), scanning electron microscopy (SEM), UV-Visible (UV-Vis) and Fourier transform infrared (FT-IR) spectroscopies and energy-dispersion X-ray spectroscopy (EDS) methods. Based on XRD scans, the green NPs have an average crystallite size of 15.9 nm as estimated using the Scherrer equation and have a roughly spherical shape with an average diameter of 25.15 ± 1.2 nm as calculated from SEM data. As estimated from the Tauc plot based on UV-Vis absorption spectra, ZnO NPs have a small band gap of 3.0 eV. The biosynthesized ZnO NPs were effectively utilized for the photodegradation of methylene blue (MB) and crystal violet (CV) dyes under UV illumination with resulting MB and CV degradation efficiencies of ~94% and ~81% after 60 min and 70 min, with pH = 12 and pH = 10, respectively. Different experimental parameters such as NPs quantity, experimental pH, light intensity and initial concentration of dyes were varied to test the performance of the catalyst. Furthermore, efficient recycling of the catalyst was demonstrated. We also undertook antimicrobial studies of the green ZnO NPs. The ZnO NPs demonstrated broad-spectrum antimicrobial efficacy against Escherichia coli ATCC 35218, Enterococcus faecalis ATCC 29737, Klebsiella pneumoniae ATCC 700603, Pseudomonas aeruginosa ATCC 27853, P. aeruginosa B3, Staphylococcus aureus ATCC 29213, and S. aureus SA01, with the minimum inhibitory concentration (MIC) and the inhibitory concentrations associated with 50% effect (IC50) values ranging from 250 to 2000 µg/mL and 7.74 to 283.14 µg/mL, respectively. The nanoparticles also significantly inhibited biofilm formation by E. faecalis ATCC 29737, P. aeruginosa ATCC 27856, and S. aureus SA03. The antimicrobial efficiency of the ZnO NPs against Escherichia coli ATCC 25922 and Staphylococcus aureus SA03 isolates was also assessed using the disk diffusion assays. Taken together, our results reveal that the biosynthesized ZnO NPs are promising multifunctional materials with potential applications in antimicrobial treatments, biofilm control, and photocatalytic remediation. Full article
(This article belongs to the Special Issue Synthesis and Applications of Nanomaterials)
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9 pages, 3171 KB  
Article
Influence of Zinc Doping on the Morphological, Structural, and Optical Characteristics of Copper Oxide Thin Films Prepared Through Ultrasound Spray Pyrolysis
by Isis Chetzyl Ballardo Rodríguez, Brahim El Filali, Aarón Israel Díaz Cano, Rebeca Jiménez Rodríguez and Juan Antonio Jaramillo Gómez
Materials 2026, 19(8), 1596; https://doi.org/10.3390/ma19081596 - 15 Apr 2026
Viewed by 639
Abstract
The study of wide-bandgap nanomaterials has gained considerable attention in recent years, especially in the case of semiconductor oxides that exhibit full or partial optical transparency in fundamental research and technological applications. These include optoelectronic devices, gas sensors and photovoltaic cells, among others. [...] Read more.
The study of wide-bandgap nanomaterials has gained considerable attention in recent years, especially in the case of semiconductor oxides that exhibit full or partial optical transparency in fundamental research and technological applications. These include optoelectronic devices, gas sensors and photovoltaic cells, among others. The activation or adjustment of optical and structural properties, especially the bandgap and the parameters of unit cell lattice, can be achieved by varying the dopant concentration during the synthesis of semiconductor thin films in these applications. In this context, copper oxide has emerged as a valuable material, owing to its thoroughly analyzed structural behavior and its broad potential across multiple technological fields. The present work focuses on the synthesis of zinc-doped copper oxide (ZnxCu1−xO) thin films on silicon and quartz substrates through ultrasonic spray pyrolysis. The effects of varying the zinc doping concentration (0.0, 5.0, 10.0 and 20.0 at. %) on the morphological, structural, and optical characteristics of the ZnxCu1−xO films were analyzed. Scanning electron microscopy (SEM) analysis indicated a gradual increase in nanoparticle size, rising from 221 nm for CuO to approximately 322 nm for the Zn0.2Cu0.8O samples as the zinc content increased. Structural characterization via X-ray diffraction (XRD) confirmed a monoclinic crystal arrangement belonging to the C2h6 (c2/c) space group. As the percentage of zinc increased, the XRD peaks shifted to lower angles, consequently increasing the volume and crystal lattice parameters of the ZnxCu1−xO structure; this finding was additionally supported by a redshift observed in the Raman analysis. The transmittance spectra of the films showed low transmittance between 40 and 44%. The optical bandgap of the ZnxCu1−xO thin films was estimated from the transmittance data by applying the Tauc plot method. A decrease in the band gap was observed at higher doping concentrations. It can be confirmed that no secondary phases are observed at a doping level of 20.0 at. % of zinc, indicating good solubility of zinc in CuO. The analysis and discussion of these findings are included throughout this work to elucidate the controversies noted in the literature. Full article
(This article belongs to the Special Issue Revisiting the Fundamentals: Synthesis of Metal Oxides)
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20 pages, 14703 KB  
Article
Assessment of the Wastewater Treatment Performance of Neodymium-Doped Al2O3 Nanoparticles Under UV Irradiation
by Tamer Dogan
Appl. Sci. 2026, 16(8), 3773; https://doi.org/10.3390/app16083773 - 12 Apr 2026
Cited by 1 | Viewed by 765
Abstract
This study reports the structural, optical, and photocatalytic properties of Nd-doped Al2O3 nanoparticles synthesized via a high-temperature solid-state reaction method. The impact of varying Nd concentrations (1%, 2%, and 3%) on the host lattice was investigated through X-ray diffraction (XRD), [...] Read more.
This study reports the structural, optical, and photocatalytic properties of Nd-doped Al2O3 nanoparticles synthesized via a high-temperature solid-state reaction method. The impact of varying Nd concentrations (1%, 2%, and 3%) on the host lattice was investigated through X-ray diffraction (XRD), which confirmed the successful integration of Nd3+ ions and revealed a concentration-dependent lattice expansion. Diffuse Reflectance Spectroscopy (DRS) demonstrated characteristic 4f-4f transitions of Nd3+, while Tauc plot analysis indicated a systematic blue shift in the optical bandgap from 4.5 eV to 4.63 eV with an increasing dopant content. The photocatalytic efficiency was evaluated through the degradation of Basic Fuchsin (BF) dye under UV irradiation. The Al2O3:3% Nd sample exhibited superior performance, achieving an 83% degradation efficiency within 160 min, following pseudo-first-order Langmuir–Hinshelwood kinetics (kobs = 0.02428 min−1). Photoluminescence (PL) studies further corroborated the structural integrity and defect dynamics, showing a significant enhancement in NIR emission (880–920 nm) at higher doping levels without reaching the concentration-quenching threshold. These results suggest that Nd-doped Al2O3 nanoparticles are highly effective for environmental remediation and optoelectronic applications. Full article
(This article belongs to the Section Applied Physics General)
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9 pages, 3138 KB  
Communication
Mechanism of UV-C-Induced Oxygen Vacancies Altering the Colour of Dental Zirconia
by Mengxiao Xu, Xuedong Bai, Siyu Yang, Weijia Wen, Kiho Cho, Yun-Hong Lee, Shixin Jin and James Kit Hon Tsoi
Materials 2026, 19(7), 1427; https://doi.org/10.3390/ma19071427 - 2 Apr 2026
Viewed by 603
Abstract
UV-C irradiation enables digital zirconia colouring. This study investigates the atomic mechanism driving this defect-induced optical change. The band gap was calculated from the absorption spectra with the Tauc plot. The absorption spectra were measured using UV–visible spectroscopy. The surface composition was evaluated [...] Read more.
UV-C irradiation enables digital zirconia colouring. This study investigates the atomic mechanism driving this defect-induced optical change. The band gap was calculated from the absorption spectra with the Tauc plot. The absorption spectra were measured using UV–visible spectroscopy. The surface composition was evaluated through X-ray photoelectron spectroscopy (XPS). The location of the oxygen vacancy was tested through electron paramagnetic resonance (EPR). The computer calculation using Density Functional Theory was conducted and the density of states (DOSs) were calculated. The band gap reduced rapidly from the baseline group (3.184 eV) to the 30 min irradiated group (3.097 eV). The XPS results showed that the electron density around O1s reduced and the electron density around Zr 3d increased. The EPR signal (g = 2.0037) increases progressively as the UV-C irradiation time is prolonged from 15 min to 24 h, indicating the accumulation of paramagnetic defect centres. The DOSs suggested the emergence of defect-associated states and band-edge tailing in oxygen deficient models, consistent with the experimentally observed reduction in the Tauc-derived optical band gap. This study confirmed the mechanism by which UV-C-induced oxygen vacancies modify the colour of 3Y-TZP. Full article
(This article belongs to the Section Advanced and Functional Ceramics and Glasses)
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13 pages, 5195 KB  
Article
Cerium Oxide Nanoparticles for Efficient Photocatalytic Degradation of Red Amaranth Dye
by Jhonathan Castillo-Saenz, Eduardo Estrada-Movilla, Benjamín Valdez-Salas, Ernesto Beltrán-Partida, Jorge Salvador-Carlos, Esneyder Puello-Polo and Roberto Gamboa-Becerra
Reactions 2026, 7(2), 22; https://doi.org/10.3390/reactions7020022 - 31 Mar 2026
Cited by 2 | Viewed by 1354
Abstract
Red Amaranth (RA) Azo dye is a persistent pollutant in wastewater and stands as a toxicological risk, which has led to the development of effective methods for its removal and photocatalytic degradation. Therefore, CeO2 nanoparticles were synthesized by a controlled precipitation method, [...] Read more.
Red Amaranth (RA) Azo dye is a persistent pollutant in wastewater and stands as a toxicological risk, which has led to the development of effective methods for its removal and photocatalytic degradation. Therefore, CeO2 nanoparticles were synthesized by a controlled precipitation method, and Ultraviolet-Visible (UV–Vis) analysis and Tauc plots yielded a band gap of ~3.24 eV. The CeO2 nanoparticles showed the fluorite cubic phase, and nearly spherical particles with an average size of ~10 nm. Nitrogen physisorption revealed a type IV isotherm with a Brunauer–Emmett–Teller (BET) surface area of 85.27 m2·g−1 and a total pore volume of 0.27 cm3·g−1, indicating a mesoporous structure and high surface accessibility. The chemical behavior showed Ce and O, consistent with phase purity. Photocatalytic performance was evaluated in 20 ppm aqueous solution of RA under 365 nm UV irradiation (LED 100 W), with a temperature of ~20 °C and a 15 min dark adsorption step. Concentration decay was followed at λmax = 520 nm by Lambert–Beer. The degradation efficiency η and pseudo-first-order kinetic were obtained from ln(C0/Ct) vs. time. In addition, chemical oxygen demand (COD) tests were performed on RA solution before and after photodegradation, showing a COD reduction of ~85% (from 19.8 to 3 mg O2·L−1), which corroborates mineralization beyond chromophore bleaching. Under [C0 = 20 mg·L−1] and [mcat = 1.0 g·L−1], CeO2 achieved [RA = 90% at 180 min, k = 0.0125 min−1]. These results demonstrate that CeO2 is an effective photocatalyst for RA degradation under UV-A irradiation, integrating adsorption, kinetic behavior, and mineralization performance into a coherent structure–property relationship. Full article
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16 pages, 3140 KB  
Article
In Situ Growth of Copper Metal–Organic Frameworks (MOFs) into Ceramics for Catalytic Hydrogenation of Organic Dyes
by Hani Nasser Abdelhamid and Saad A. Aljlil
Catalysts 2026, 16(3), 282; https://doi.org/10.3390/catal16030282 - 21 Mar 2026
Cited by 2 | Viewed by 1637
Abstract
In this study, the in situ solvothermal synthesis of a copper-based metal–organic framework (Cu-BTC MOF) into two porous ceramic substrates with a 10 cm diameter and 2 cm thickness was reported. X-ray diffraction (XRD), Fourier transform infrared (FT-IR) spectroscopy, diffuse reflectance spectroscopy (DRS), [...] Read more.
In this study, the in situ solvothermal synthesis of a copper-based metal–organic framework (Cu-BTC MOF) into two porous ceramic substrates with a 10 cm diameter and 2 cm thickness was reported. X-ray diffraction (XRD), Fourier transform infrared (FT-IR) spectroscopy, diffuse reflectance spectroscopy (DRS), Tauc plot analysis, optical microscopy, scanning electron microscopy (SEM), and transmission electron microscopy (TEM) were the techniques that were utilized to verify the formation and incorporation of the MOF into ceramics (two samples, with different SiO2 particles; 500 µm (Ceramic 1), and 150 µm (Ceramic 2)). The synthesized Cu-MOF exhibited a crystalline structure. Both the composites and the Cu-MOF exhibited visible-light absorption, with optical band gaps of 2.5 eV and 2.4 eV, respectively, as determined by DRS. TEM images demonstrated that crystalline MOF domains were successfully included inside the ceramics. Methyl orange (MO), Congo red (CR), and methylene blue (MB) were used to assess the composites’ ability to remove dyes. Catalytic hydrogenation, powered by in situ hydrogen production from NaBH4 hydrolysis, demonstrated high removal efficiencies of 91–97% after 60 min. Adsorption, on the other hand, was ineffective. Despite undergoing four consecutive cycles without performance degradation, the materials demonstrated remarkable recyclability. Cu-MOF@ceramic composites are effective, durable, and practically applicable for improved wastewater treatment. Full article
(This article belongs to the Section Catalytic Materials)
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11 pages, 4670 KB  
Article
Tailoring the Band Gap of ZIF-8 via Cobalt Doping for Enhanced Visible-Light Photocatalysis and Hydrogen Evolution
by Ahmed Eldarder Taha, Mohamed El-Gaby, Abu Bakr A. A. M. El-Adasy, Hussain Almohiy, Mohamed Saad, Yasser A. M. Ismail and Abdelaziz M. Aboraia
Catalysts 2026, 16(2), 176; https://doi.org/10.3390/catal16020176 - 10 Feb 2026
Viewed by 1561
Abstract
Metal–organic frameworks (MOFs), particularly Zeolitic Imidazolate Framework-8 (ZIF-8), are promising photocatalysts; however, their practical application is limited by a wide band gap (~3.85 eV), which restricts light absorption mainly to the ultraviolet region. This limitation was addressed by synthesizing a series of cobalt-doped [...] Read more.
Metal–organic frameworks (MOFs), particularly Zeolitic Imidazolate Framework-8 (ZIF-8), are promising photocatalysts; however, their practical application is limited by a wide band gap (~3.85 eV), which restricts light absorption mainly to the ultraviolet region. This limitation was addressed by synthesizing a series of cobalt-doped ZIF-8 materials, Co(x)ZIF-8 (x = 0, 2.5, 5, 7.5, and 10 wt%), using a cost-effective aqueous synthesis route. Structural and compositional analyses using X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), and energy-dispersive X-ray spectroscopy (EDS) confirmed the formation of phase-pure ZIF-8 topology, with no significant change in nanoparticle morphology upon the partial substitution of Zn2+ by Co2+ ions within the framework. UV–Vis diffuse reflectance and Tauc plot analysis revealed a systematic and substantial reduction in the optical band gap (Eg) with increasing Co content, indicating enhanced visible-light absorption capability. All Co(x)ZIF-8 samples exhibited superior photocatalytic activity compared to pristine ZIF-8 under light irradiation. Among them, Co(2.5)ZIF-8 displayed the highest apparent reaction rate constant for pollutant degradation, while Co(5)ZIF-8 achieved the highest overall degradation efficiency (~87%) after 40 min. The enhanced photocatalytic performance is attributed to the synergistic effects of band-gap narrowing and the presence of Co2+ ions, which act as effective charge-trapping centers and suppress electron–hole recombination. Electrochemical measurements further demonstrated that Co(5)ZIF-8 exhibits the highest current density (most negative J) at large negative potentials (e.g., J ≈ −0.105 A cm−2 at E = −2.0 V), indicating superior intrinsic catalytic activity. These findings highlight cobalt-doped ZIF-8 as a highly tunable and efficient photocatalyst with strong potential for environmental remediation applications. Full article
(This article belongs to the Special Issue 15th Anniversary of Catalysts—Recent Advances in Photocatalysis)
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22 pages, 4853 KB  
Article
Tuning Magnetic Anisotropy and Spin Relaxation in CoFe2O4–MWCNT Nanocomposites via Interfacial Exchange Coupling
by Prashant Kumar, Jiten Yadav, Arjun Singh, Sumit Kumar, Rajni Verma and Saurabh Pathak
J. Compos. Sci. 2026, 10(2), 90; https://doi.org/10.3390/jcs10020090 - 9 Feb 2026
Cited by 3 | Viewed by 1633
Abstract
Interfacial coupling between CoFe2O4 (CFO) nanoparticles and oxidatively functionalized multi-walled carbon nanotubes (MWCNTs) enables controlled modulation of structural, optical, and spin dynamic properties in CFO–MWCNT nanocomposites. The solvothermal synthesis promotes nucleation of CFO on –COOH/–OH functional groups, ensuring uniform anchoring [...] Read more.
Interfacial coupling between CoFe2O4 (CFO) nanoparticles and oxidatively functionalized multi-walled carbon nanotubes (MWCNTs) enables controlled modulation of structural, optical, and spin dynamic properties in CFO–MWCNT nanocomposites. The solvothermal synthesis promotes nucleation of CFO on –COOH/–OH functional groups, ensuring uniform anchoring along the nanotube surface. X-ray diffraction confirms a cubic spinel phase with lattice expansion from 8.385 Å to 8.410 Å and crystallite growth from 18 nm to 25 nm, reflecting strain transfer and partial nanoparticle coalescence at the carbon interface. The observed bandgap narrowing from 2.72 eV to 2.50 eV, confirmed via Tauc plot analysis, is attributed to localized defect states induced by charge delocalization and orbital hybridization at the interface of the CFO–MWCNT boundary. DC magnetometry reveals a reduction in saturation magnetization from 46 emu/g to 35 emu/g due to diamagnetic dilution and interfacial spin canting, while coercivity decreases from 852 Oe to 841 Oe, indicating modified pinning and domain-wall dynamics associated with exchange-coupled interfaces. Ferromagnetic resonance measurements show a resonance field shift from 3495 G to 3500 G and an increase in the Landé g-factor from 1.97 to 2.00, signifying altered spin–orbit coupling and enhanced local magnetic perturbations. The spin–lattice relaxation time increases from 1.41 ns to 1.59 ns, demonstrating suppressed phonon-mediated relaxation and improved spin coherence across the hybrid network. Spin density rises from 3.72 × 1022 to 4.58 × 1022 spins/g, confirming an increase in unpaired electrons generated by orbital asymmetry at the interface. The anisotropy field and effective magnetocrystalline anisotropy constant exhibit pronounced modulation, evidencing strengthened exchange stiffness and altered Co2+/Fe3+ superexchange pathways. These results establish CFO-MWCNT nanocomposites as tuneable platforms for spintronic logic elements, high-frequency microwave attenuation, and magneto-optical device architectures. Full article
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12 pages, 56461 KB  
Article
Preparation of CoMoP/BiVO4 Composite Photoanodes and Investigation of Their Photoelectrochemical Properties
by Ke Zhu, Bingjie Meng, Ziying Ren, Xing Tian and Yonglei Xing
Colloids Interfaces 2026, 10(1), 17; https://doi.org/10.3390/colloids10010017 - 6 Feb 2026
Viewed by 782
Abstract
Herein, a cobalt–molybdenum bimetallic oxide precursor was synthesized via a hydrothermal route, followed by a phosphidation strategy in a tube furnace to produce a CoMoP cocatalyst. Subsequently, a CoMoP/BiVO4 composite photoanode was successfully constructed by loading the CoMoP cocatalyst onto the surface [...] Read more.
Herein, a cobalt–molybdenum bimetallic oxide precursor was synthesized via a hydrothermal route, followed by a phosphidation strategy in a tube furnace to produce a CoMoP cocatalyst. Subsequently, a CoMoP/BiVO4 composite photoanode was successfully constructed by loading the CoMoP cocatalyst onto the surface of an electrodeposited BiVO4 film using a drop-casting method. A suite of analytical tools such as TEM, XRD, and XPS was utilized to comprehensively examine the material morphology and crystalline features, verifying that CoMoP was effectively anchored on the BiVO4 surface with intimate interfacial contact. Photoelectrochemical (PEC) performance testing indicated that the composite photoanode achieved optimal performance with a 200 µL loading of the CoMoP dispersion (2 mg/mL). Under front-side illumination, the photocurrent density of the CoMoP/BiVO4 composite photoelectrode reached a photocurrent density of 2.8 mA/cm2 at 1.23 V (vs. RHE), which is approximately 3.1 times higher than that of unmodified BiVO4 (0.9 mA/cm2). Under back-side illumination, the composite photoanode generated 3.5 mA/cm2, representing a 2.3-fold improvement over the 1.5 mA/cm2 recorded for bare BiVO4. The bandgap energy of BiVO4 was determined to be approximately 2.44 eV based on UV–vis absorption spectra and the corresponding Tauc plot. Owing to its metallic nature, CoMoP exhibits strong broadband absorption in the visible-light region and does not display an intrinsic semiconductor bandgap behavior. Combined with photoluminescence (PL) spectroscopy and PEC results, it was demonstrated that the CoMoP loading effectively promoted interfacial charge separation and transport while accelerating water oxidation kinetics. These results demonstrate that the CoMoP/BiVO4 system serves as an advanced semiconductor material with excellent performance for photoelectrocatalytic water splitting. Full article
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21 pages, 2191 KB  
Article
What a Difference a Water Molecule Makes—A Combined Experimental/Theoretical Study on 2,3,5-triphenyl-2H-tetrazol-3-ium Chloride Hydrate in Solution and the Solid-State
by Rim Bechaieb, Maha F. El-Tohamy, Haitham AlRabiah, Gamal A. E. Mostafa, Bruno Poti e Silva, Maryam Niazi and Axel Klein
Molecules 2026, 31(1), 138; https://doi.org/10.3390/molecules31010138 - 31 Dec 2025
Viewed by 824
Abstract
2,3,5-triphenyl-2H-tetrazol-3-ium (TPT) chloride was studied through a combination of theoretical methods and experimental data, revealing structural and physical-chemical properties of the hydrate salt, [TPT]Cl·H2O. The previously reported crystal structure was confirmed, but our study at lower T (100 K [...] Read more.
2,3,5-triphenyl-2H-tetrazol-3-ium (TPT) chloride was studied through a combination of theoretical methods and experimental data, revealing structural and physical-chemical properties of the hydrate salt, [TPT]Cl·H2O. The previously reported crystal structure was confirmed, but our study at lower T (100 K vs. 220 K) showed different positions for the two H2O molecules in the unit cell around the chlorides. One of them (Cl1) is found surrounded by the tetrazole units, which we call the “dry pocket”, in contrast to the other, Cl2, which is involved in a hydrogen bonding cluster that consists of chloride and two water molecules, referred to as the “wet pocket”. Hirshfeld surface analyses showed predominant H⋯H interactions, followed by C⋯H interactions (including C–H⋯Cl/O interactions), and H⋯Cl contacts, which represent the C–H⋯Cl2 hydrogen bonds. Density functional theory (DFT) and (time-dependent) TD-DFT calculations on a molecular model of the compound, benchmarking the three functionals B3LYP, CAM-B3LYP, and PBE1PBE, found excellent agreement with experimental solution data when using the CAM-B3LYP function. UV-Vis absorptions observed at 320 nm, 245 nm, and 204 nm (in MeOH solution) were quite accurately reproduced and assigned. The observed bands were assigned to mixed HOMO–n⟶LUMO+m transitions, involving in all cases the LUMO+1 for the most intense band at 245 nm. Solid-state calculations on the GGA (PBE) level of theory using the CASTEP code and including the Tkatchenko–Scheffler (TS) scheme for the description of long-range interactions gave a good match for the calculated electronic band gap in the solid-state of 3.54 eV compared with the experimental value of 3.12 eV obtained through the Tauc plot method. Full article
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17 pages, 4795 KB  
Article
Structural Diversity, Thermal, and Semiconducting Characteristics of Two N,N′-bis(phosphonomethyl)-1,4,5,8-Naphthalenediimide-Based Compounds
by Kenya V. Medina, Juan L. Pinedo, Kimberly P. Hernandez, Julian I. Ramirez, Callah Preti, Dimitrios Bourmas, Kenya Rosas, Ryan A. Flores, Josemaria S. Soriano, Hadi D. Arman and Pius O. Adelani
Crystals 2025, 15(12), 1061; https://doi.org/10.3390/cryst15121061 - 16 Dec 2025
Cited by 1 | Viewed by 836
Abstract
Two crystals of N,N′-bis(phosphonomethyl)-1,4,5,8-naphthalenediimide were grown in the presence of neutral (water) and charged (imidazolium cation) species, yielding [(H2O3P)CH2-(C14H4N2O4)-CH2(PO3H2)]∙H2O (1 [...] Read more.
Two crystals of N,N′-bis(phosphonomethyl)-1,4,5,8-naphthalenediimide were grown in the presence of neutral (water) and charged (imidazolium cation) species, yielding [(H2O3P)CH2-(C14H4N2O4)-CH2(PO3H2)]∙H2O (1) and [C3H5N2][(H1.5O3P)CH2-(C14H4N2O4)-CH2(PO3H1.5)] (2), respectively. The ligand N,N′-bis(phosphonomethyl)-1,4,5,8-naphthalenediimide was synthesized via the condensation of naphthalene-1,4,5,8-tetracarboxylic dianhydride with (aminomethyl)phosphonic acid in N,N′-dimethylformamide or imidazole. The flexible N-methyl phosphonic acid groups adopt a cis configuration in compound 1 and a trans configuration in compound 2. In compound 1, the phosphonate groups engage in extensive hydrogen bonding, as well as with water molecules and π–π stacking, resulting in a three-dimensional closely packed structure. Compound 2 forms a densely packed three-dimensional network stabilized by charge-assisted hydrogen bonding (anion-cation), anion–π interactions, and π–π stacking interactions. Hirshfeld surface analysis was conducted and the associated two-dimensional fingerprint plots were generated to further elucidate the nature and contributions of these noncovalent interactions. Direct bandgap measurements estimated from Tauc plots yielded values of 2.92 eV and 2.85 eV for compounds 1 and 2, respectively, highlighting their potential as promising n-type organic semiconductors. Thermal analysis reveals that compound 2 exhibits greater thermal stability than compound 1. Full article
(This article belongs to the Section Crystal Engineering)
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19 pages, 2387 KB  
Article
Green Synthesis of Titanium Dioxide Nanoparticles: Characterization and Evaluation of Their Potential for Photocatalytic and Dielectric Applications
by Manal A. Awad, Khalid M. O. Ortashi, Wadha Alenazi, Fatimah S. Alfaifi and Asma A. Al-Huqail
Molecules 2025, 30(24), 4701; https://doi.org/10.3390/molecules30244701 - 8 Dec 2025
Cited by 12 | Viewed by 2128
Abstract
This study investigated the dielectric and photocatalytic properties of green-synthesized titanium dioxide nanoparticles (TiO2 NPs), which are widely utilized semiconductor materials known for their excellent optical, structural, and electronic characteristics. The TiO2 NPs were synthesized via a green precipitation method from [...] Read more.
This study investigated the dielectric and photocatalytic properties of green-synthesized titanium dioxide nanoparticles (TiO2 NPs), which are widely utilized semiconductor materials known for their excellent optical, structural, and electronic characteristics. The TiO2 NPs were synthesized via a green precipitation method from the aqueous extract of Cymbopogon proximus. A comprehensive set of analytical techniques—UV–Vis spectroscopy, XRD, FTIR, TEM, EDX, and DLS—was employed to determine their optical response, crystalline structure, functional groups, morphology, elemental composition, and particle size distribution. UV–Vis analysis revealed a characteristic absorption peak at 327 nm, and the band gap energy, calculated via the Tauc plot method, was 3.16 eV. The XRD results confirmed the formation of a tetragonal TiO2 phase with an average crystallite size of approximately 4 nm. TEM images further supported the spherical to quasitetragonal morphology and revealed that the aggregated clusters formed conjoint nanostructures. The photocatalytic activity of the TiO2 NPs was evaluated using a 0.5 mM RhB dye solution under UV–visible irradiation. The synthesized nanoparticles achieved a photodegradation efficiency of 97% after 50 h, with a corresponding rate constant of 0.073402 h−1, indicating their potential for effective photocatalytic pollutant removal. Furthermore, the dielectric behavior of the TiO2 NPs was examined at room temperature. The material exhibited a high dielectric constant at low frequencies due to interfacial (Maxwell–Wagner) polarization, along with frequency-dependent AC conductivity attributed to charge-carrier hopping mechanisms. These dielectric properties, combined with strong photocatalytic performance, underscore the suitability of green-synthesized TiO2 NPs for applications in environmental remediation, energy-storage devices, and advanced technologies. Full article
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