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Search Results (4,455)

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Keywords = photocatalysts

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18 pages, 2575 KB  
Article
MoO3-Based Photocatalysts for the Depolymerization of Lignin Under UV-Vis Light
by Elena Teresa Palombella, Antonio Monopoli, Maria Chiara Sportelli, Federico Liuzzi, Isabella De Bari, Lucia D’Accolti and Cosimo Annese
Catalysts 2026, 16(1), 95; https://doi.org/10.3390/catal16010095 (registering DOI) - 16 Jan 2026
Abstract
In this explorative work, molybdenum trioxide (MoO3) and representative doped MoO3 materials, i.e., Cu-doped MoO3 (2% Cu, “Cu-MoO3”) and H-doped MoO3 (H0.31MoO3, “H-MoO3”), have been tested for the first time [...] Read more.
In this explorative work, molybdenum trioxide (MoO3) and representative doped MoO3 materials, i.e., Cu-doped MoO3 (2% Cu, “Cu-MoO3”) and H-doped MoO3 (H0.31MoO3, “H-MoO3”), have been tested for the first time as photocatalysts in the UV-vis light-driven depolymerization of lignin. The catalysts have been characterized by XRD, TEM, ATR-FTIR, and UV-vis DRS. Under the adopted conditions (UV-vis irradiation, solvent 0.01 M aqueous NaOH, lignin 200 ppm, catalyst 1 g/L, rt, 5 h), photocatalytic depolymerization of wheat-straw lignin (WSL) produced increasing amounts of bio-oil on changing the catalyst from pristine MoO3 to Cu-MoO3 and H-MoO3 (23%, 28% and 30%, respectively). Also, quantification of vanillin and vanillic acid shows a similar increasing trend. These results appear in line with the estimated band gap energies, which decrease in the order: MoO3 (2.91 eV) > Cu-MoO3 (2.86 eV) > H-MoO3 (2.77 eV). H-MoO3 shows the best catalytic performance, which was then fruitfully explored in the photocatalytic depolymerization of benchmark commercial Kraft lignin (bio-oil yield 32%, vanillin and vanillic acid yields 1.28% and 0.78%, respectively). In view of the results obtained, this work is expected to provide new ideas for the design of heterogeneous photocatalytic system for lignin cleavage. Full article
(This article belongs to the Special Issue Catalysts from Lignocellulose to Biofuels and Bioproducts)
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15 pages, 5047 KB  
Article
Bismuth Oxychloride@Graphene Oxide/Polyimide Composite Nanofiltration Membranes with Excellent Self-Cleaning Performance
by Runlin Han, Faxiang Feng, Zanming Zhu, Jiale Li, Yiting Kou, Chaowei Yan and Hongbo Gu
Separations 2026, 13(1), 37; https://doi.org/10.3390/separations13010037 (registering DOI) - 16 Jan 2026
Abstract
Organic pollution poses a serious threat to global water safety, while traditional treatment technologies suffer from low efficiency, high costs, and secondary pollution issues. This study successfully develops a highly efficient separation and photocatalytic degradation composite bismuth oxychloride@graphene oxide/polyimide (BiOCl@GO/PI) membrane by loading [...] Read more.
Organic pollution poses a serious threat to global water safety, while traditional treatment technologies suffer from low efficiency, high costs, and secondary pollution issues. This study successfully develops a highly efficient separation and photocatalytic degradation composite bismuth oxychloride@graphene oxide/polyimide (BiOCl@GO/PI) membrane by loading GO and BiOCl photocatalysts onto PI supporting membrane. The results show that this composite membrane achieves a rejection of 99.8% for methylene blue (MB) and 87.6% for tetracycline hydrochloride (TC). Under UV irradiation, the membrane exhibits a retention rate decline of only 6.8% after five cycles, with water flux stably maintaining at 605 L m−2 h−1 bar−1. Compared to dark conditions, it demonstrates remarkable flux recovery. This is attributed to the membrane’s excellent photocatalytic degradation activity under UV irradiation. After five degradation cycles, the degradation efficiency is decreased from 97.5 to 88.3%. Studies on radical scavengers indicate that UV irradiation generates free radicals, thereby conferring excellent catalytic activity to the membrane. Its unique synergistic effect between separation and photocatalysis endows it with outstanding self-cleaning performance. This research provides an innovative integrated solution for antibiotic pollution control, demonstrating significant potential for environmental applications. Full article
(This article belongs to the Section Materials in Separation Science)
20 pages, 5021 KB  
Article
Bio-Inspired Reduced TiO2 Nanotube Photocatalyst Modified with Polydopamine and Silk Fibroin Quantum Dots for Enhanced UV and Visible-Light Photocatalysis
by Cristina Dumitriu, Simona Popescu, Roberta Miftode, Angela Gabriela Păun, Andreea Mădălina Pandele, Andrei Kuncser and Mihaela Mîndroiu
Materials 2026, 19(2), 358; https://doi.org/10.3390/ma19020358 - 16 Jan 2026
Abstract
Y-branched TiO2 nanotubes (NTs) were produced by anodizing titanium plates derived from aerospace production leftovers and subsequently engineered to develop an enhanced TiO2-based photocatalytic system. The NTs were electrochemically reduced to obtain reduced TiO2 nanotubes (rTN) with a narrowed [...] Read more.
Y-branched TiO2 nanotubes (NTs) were produced by anodizing titanium plates derived from aerospace production leftovers and subsequently engineered to develop an enhanced TiO2-based photocatalytic system. The NTs were electrochemically reduced to obtain reduced TiO2 nanotubes (rTN) with a narrowed bandgap, followed by surface modification with polydopamine (PD) and silk fibroin-derived quantum dots (QDs) to promote enhanced UV and visible-light photocatalysis for wastewater treatment. The QDs were hydrothermally synthesized from Bombyx mori silk fibroin. Scanning Electron Microscopy (SEM) revealed spherical QD agglomerates encapsulated within the PD layer, while Energy Dispersive X-ray Spectroscopy (EDX) confirmed the presence of carbon and nitrogen originating from both PD and QD. The resulting rNT/PD/QD photocatalyst exhibited a significantly reduced bandgap (1.03 eV), increased Urbach energy (1.35 eV), and moderate hydrophilicity. A high double-layer capacitance (Cdl) indicated an enlarged electrochemically active surface due to the combination of treatments. Electrochemical characterization demonstrated reduced electrical resistance, higher charge density, and lower electron–hole recombination, leading to improved interfacial charge transfer efficiency and electrochemical stability during multi-cycle cyclic voltammetry measurements. Preliminary photocatalytic tests show that the rNT/PD/QD photocatalyst achieved a degradation efficiency of 79.26% for methyl orange (MO) and 35% for tetracycline (TC). Full article
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12 pages, 1490 KB  
Article
Aqueous Radical Photopolymerization Catalyzed by Resorufin
by Wenqiao Zhou and Chunming Liu
Organics 2026, 7(1), 5; https://doi.org/10.3390/org7010005 - 15 Jan 2026
Viewed by 90
Abstract
Commercially available resorufin was shown to function as an organic photocatalyst for visible-light-induced aqueous radical polymerization under low-irradiance illumination. Polymers with narrow molecular weight distributions and high monomer conversions were successfully synthesized from acrylate and acrylamide monomers. The photopolymerization catalyzed by resorufin was [...] Read more.
Commercially available resorufin was shown to function as an organic photocatalyst for visible-light-induced aqueous radical polymerization under low-irradiance illumination. Polymers with narrow molecular weight distributions and high monomer conversions were successfully synthesized from acrylate and acrylamide monomers. The photopolymerization catalyzed by resorufin was consistent with a reductive quenching mechanism. Good temporal control of the reaction was achieved by toggling visible light irradiation. Full article
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35 pages, 4505 KB  
Review
Surface-Modified Magnetic Nanoparticles for Photocatalytic Degradation of Antibiotics in Wastewater: A Review
by Melissa Ariza Gonzalez, Supawitch Hoijang, Dang B. Tran, Quoc Minh Tran, Refia Atik, Rafiqul Islam, Sugandika Maparathne, Sujitra Wongthep, Ramtin Yarinia, Ruwanthi Amarasekara, Pailinrut Chinwangso and T. Randall Lee
Appl. Sci. 2026, 16(2), 844; https://doi.org/10.3390/app16020844 - 14 Jan 2026
Viewed by 81
Abstract
Recent advancements in nanotechnology and materials science have enabled the development of magnetic photocatalysts with improved efficiency, stability, and reusability, offering a promising approach for wastewater treatment. The integration of magnetic nanoparticles (MNPs) into photocatalytic processes has gained significant attention as a sustainable [...] Read more.
Recent advancements in nanotechnology and materials science have enabled the development of magnetic photocatalysts with improved efficiency, stability, and reusability, offering a promising approach for wastewater treatment. The integration of magnetic nanoparticles (MNPs) into photocatalytic processes has gained significant attention as a sustainable method for addressing emerging pollutants—such as antibiotics and pharmaceutical compounds—which pose environmental and public health risks, including the proliferation of antibiotic resistance. Surface modification techniques, specifically applied to MNPs, are employed to enhance their photocatalytic performance by improving surface reactivity, reducing nanoparticle agglomeration, and increasing photocatalytic activity under both visible and ultraviolet (UV) light irradiation. These modifications also facilitate the selective adsorption and degradation of target contaminants. Importantly, the modified nanoparticles retain their magnetic properties, allowing for facile separation and reuse in multiple treatment cycles via external magnetic fields. This review provides a comprehensive overview of recent developments in surface-modified MNPs for wastewater treatment, with a focus on their physicochemical properties, surface modification strategies, and effectiveness in the removal of antibiotics from aqueous environments. Furthermore, the review discusses advantages over conventional treatment methods, current limitations, and future research directions, emphasizing the potential of this technology for sustainable and efficient water purification. Full article
(This article belongs to the Special Issue Applications of Nanoparticles in the Environmental Sciences)
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21 pages, 8110 KB  
Article
Study on the Performance of Bi2O3/BiOBrγIx Adsorptive Photocatalyst for Removal of 2,4-Dichlorophenoxyacetic Acid
by Rixiong Mo, Yuanzhen Li, Bo Liu, Yi Yang, Yaoyao Zhou, Yuxi Cheng, Haorong Shi and Guanlong Yu
Separations 2026, 13(1), 30; https://doi.org/10.3390/separations13010030 - 14 Jan 2026
Viewed by 49
Abstract
In this study, a novel Bi2O3/BiOBr0.9I0.1 (BO0.9−BBI0.1) composite photocatalyst was successfully synthesized via a single-pot solvothermal method for the efficient degradation of 2,4-dichlorophenoxyacetic acid (2,4-D) under visible light. The structure, morphology, and optical properties of the [...] Read more.
In this study, a novel Bi2O3/BiOBr0.9I0.1 (BO0.9−BBI0.1) composite photocatalyst was successfully synthesized via a single-pot solvothermal method for the efficient degradation of 2,4-dichlorophenoxyacetic acid (2,4-D) under visible light. The structure, morphology, and optical properties of the photocatalyst were characterized through X-ray diffraction (XRD), Scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), UV–vis diffuse reflectance spectra (DRS), Steady-state photoluminescence (PL), and Electrochemical Impedance Spectroscopy (EIS). The composite exhibits a 3D hierarchical morphology with increased specific surface area and optimized pore structure, enhancing pollutant adsorption and providing more active sites. Under visible light irradiation, BO0.9−BBI0.1 achieved a 92.4% removal rate of 2,4-D within 2 h, with a reaction rate constant 5.3 and 4.6 times higher than that of pure BiOBr and BiOI, respectively. Mechanism studies confirm that photogenerated holes (h+) and superoxide radicals (·O2) are the primary active species, and the Z-scheme charge transfer pathway significantly promotes the separation of electron-hole pairs while maintaining strong redox capacity. The catalyst also demonstrated good stability over multiple cycles. This work provides a feasible dual-modification strategy for designing efficient bismuth-based photocatalysts for pesticide wastewater treatment. Full article
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23 pages, 2493 KB  
Article
Production and Characterization of Novel Photocatalytic Materials Derived from the Sustainable Management of Agro-Food By-Products
by Christina Megetho Gkaliouri, Eleftheria Tsampika Laoudikou, Zacharias Ioannou, Sofia Papadopoulou, Vasiliki Anastasia Giota and Dimitris Sarris
Molecules 2026, 31(2), 300; https://doi.org/10.3390/molecules31020300 - 14 Jan 2026
Viewed by 77
Abstract
Porous photocatalysts from agricultural waste, i.e., apricot and peach shell, with titanium dioxide were prepared by a carbonaceous method, the adsorption and photocatalytic degradation and its kinetics about methylene blue (MB) were studied systematically. The properties of the prepared composite sorbents were characterized [...] Read more.
Porous photocatalysts from agricultural waste, i.e., apricot and peach shell, with titanium dioxide were prepared by a carbonaceous method, the adsorption and photocatalytic degradation and its kinetics about methylene blue (MB) were studied systematically. The properties of the prepared composite sorbents were characterized using Brunauer–Emmett–Teller, surface area, scanning electron microscopy, and energy dispersive spectroscopy analyses. Several key factors, including radiation, pH, temperature, initial MB concentration, contact time, and sorbent dosage, as well as photocatalytic activity were investigated. All the waste-TiO2 adsorbents showed improved adsorption and photodegradation performance compared to commercial charchoal-TiO2. The produced materials presented high specific surface areas especially those derived from apricot shell-TiO2 with a combination of type I and IV adsorption isotherms with a hysteresis loop indicating micro and mesopore structures. In addition, under UV radiation, the composite sorbents exhibited greater MB removal efficiency than non-radiated composite sorbents. The examined conditions have shown the best MB adsorption results at pH greater than 7.5, temperature 30 °C, contact time 120 min, initial concentration 0.5 mg/L MB, and sorbent dosage equal to 2.0 g/L C/MB. The total removal rate of MB is 98.5%, while the respective amount of commercial charcoal-TiO2 is equal to 75.0%. The kinetic model that best describes the experimental data of MB degradation from the photocatalytic materials is the pseudo-second order model. In summary, this work highlights the effectiveness and feasibility of transforming agricultural waste into carbonaceous composite sorbent for the removal of cationic dyes from wastewater. Future work will involve scaling up the synthesis of the catalyst and evaluating its performance using bed reactors for industrial processes. Full article
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26 pages, 1463 KB  
Review
Design and Application of Hetero-Multicomponent Metal Oxide Photocatalysts for Wastewater Treatment: Ti–Cu–Zn Catalysts and Future Research Directions
by Maria-Anthoniette Oghenetejiro Onoriode-Afunezie, Justinas Krutkevičius and Agnė Šulčiūtė
Molecules 2026, 31(2), 299; https://doi.org/10.3390/molecules31020299 - 14 Jan 2026
Viewed by 156
Abstract
Hetero-multicomponent metal oxide catalysts are attracting increasing attention for wastewater remediation due to their tunable band structures, synergistic redox activity, and enhanced stability. This review thoroughly evaluates recent progress in the synthesis and application of such catalysts, highlighting Ti–Cu–Zn nanostructures as a representative [...] Read more.
Hetero-multicomponent metal oxide catalysts are attracting increasing attention for wastewater remediation due to their tunable band structures, synergistic redox activity, and enhanced stability. This review thoroughly evaluates recent progress in the synthesis and application of such catalysts, highlighting Ti–Cu–Zn nanostructures as a representative case study. We examine synthesis approaches—including hydrothermal, biosynthesis, precipitation, and spray-based methods, with additional insight into sol–gel and other less commonly applied techniques—with emphasis on their suitability for constructing layered and multicomponent heterostructures. Mechanistic aspects of photocatalysis, Fenton and Fenton-like processes, adsorption, and electrochemical routes are discussed, with particular focus on charge separation, reactive oxygen species (ROS) generation, and pollutant-specific degradation pathways. Comparative performance metrics against antibiotics, pesticides, dyes, and fertilizers are analyzed, alongside considerations of leaching, reusability, and scale-up potential. Importantly, while significant progress has been made for organic micropollutants, applications in heavy metal remediation remain scarce, highlighting an urgent research gap. By situating Ti–Cu–Zn systems within the broader class of multicomponent catalysts, this review not only synthesizes current advances but also identifies opportunities to expand their role in sustainable wastewater management, including field deployment, regulatory compliance, and integration into decentralized treatment systems. Full article
(This article belongs to the Special Issue Recent Advances in Chemical Treatments of Wastewater)
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8 pages, 3080 KB  
Proceeding Paper
Natural Zeolites-Supported Green-Synthesized CeO2@Polybenzimidazole Hybrid Materials for Dye Degradation
by Katerina Zaharieva, Silvia Dimova, Filip Ublekov and Hristo Penchev
Eng. Proc. 2025, 117(1), 24; https://doi.org/10.3390/engproc2025117024 - 13 Jan 2026
Viewed by 80
Abstract
Natural zeolites—clinoptilolite from Golobradovo and mordenite from Lyaskovets deposits, Bulgaria—were used for the preparation of zeolite-supported CeO2@Polybenzimidazole (PBI) hybrid materials, incorporating green-synthesized ceria using Veronica officinalis L extract. In order to prepare the hybrid composites, the zeolites/CeO2 were surface-impregnated with [...] Read more.
Natural zeolites—clinoptilolite from Golobradovo and mordenite from Lyaskovets deposits, Bulgaria—were used for the preparation of zeolite-supported CeO2@Polybenzimidazole (PBI) hybrid materials, incorporating green-synthesized ceria using Veronica officinalis L extract. In order to prepare the hybrid composites, the zeolites/CeO2 were surface-impregnated with an ethanolic KOH solution of meta-PBI, which served as a dispersant medium. The composites were investigated by WDXRF, PXRD, FTIR, POM, and TG. The materials were tested in the photocatalytic degradation of 5 ppm Reactive Black 5 dye under UV light. The higher degree of degradation (98%) was achieved using mordenite/CeO2@PBI as the photocatalyst compared to the clinoptilolite/CeO2@PBI (14%). Full article
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15 pages, 4650 KB  
Article
Engineering Phosphorus Doping Graphitic Carbon Nitride for Efficient Visible-Light Photocatalytic Hydrogen Production
by Thi Chung Le, Truong Thanh Dang, Tahereh Mahvelati-Shamsabadi and Jin Suk Chung
Catalysts 2026, 16(1), 88; https://doi.org/10.3390/catal16010088 - 13 Jan 2026
Viewed by 207
Abstract
Modulating the electronic structure and surface properties of graphitic carbon nitride (g-C3N4) by chemically phosphorus doping is an effective strategy for improving its photocatalytic performance. However, in order to benefit from practical applications, the cost-effectiveness, efficiency, and optimization of [...] Read more.
Modulating the electronic structure and surface properties of graphitic carbon nitride (g-C3N4) by chemically phosphorus doping is an effective strategy for improving its photocatalytic performance. However, in order to benefit from practical applications, the cost-effectiveness, efficiency, and optimization of the doping level need to be investigated further. Herein, we report a structural doping of P into g-C3N4 by in situ polymerization of the mixture of dicyandiamide (DCDA) and phosphorus pentoxide (P2O5). As an alternative to previous studies that used complex organic phosphorus precursors or post-treatment strategies, this work proposed a one-pot thermal polycondensation method that is low-cost, scalable, and enables controlled phosphorus substitutions at carbon sites of the g-C3N4 heptazine structure. Most of the structural features of g-C3N4 were well retained after doping, but the electronic structures and light harvesting capacity had been effectively altered, which provided not only a much better charge separation but also an improvement in photocatalytic activity toward H2 evolution under irradiation of a simulated sunlight. The optimized sample with P-doping content of 9.35 at.% (0.5PGCN) exhibited an excellent photocatalytic performance toward H2 evolution, which is over 5 times higher than that of bulk g-C3N4. This work demonstrates a facile one-step in situ route for producing high-yield photocatalysts using low-cost commercial precursors, offering practical starting materials for studies in solar cells, polymer batteries, and photocatalytic applications. Full article
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22 pages, 3584 KB  
Article
Photocatalytic Performance of the Synergetic Coupling of NiO-MgO Nanostructures on a g-C3N4 Composite Towards Methylene Blue Under Visible-Light Irradiation
by Shaojun Hao, Siew Wen Ching, Timm Joyce Tiong, Yeow Hong Yap and Chao-Ming Huang
J. Compos. Sci. 2026, 10(1), 45; https://doi.org/10.3390/jcs10010045 - 13 Jan 2026
Viewed by 209
Abstract
In this study, a ternary Ni/Mg/g-C3N4 composite was synthesized via a controlled precipitation–calcination route and evaluated for its visible-light-assisted degradation of methylene blue (MB). The structural, morphological, and optical characteristics of the composites were systematically investigated using XRD, FT-IR, FESEM, [...] Read more.
In this study, a ternary Ni/Mg/g-C3N4 composite was synthesized via a controlled precipitation–calcination route and evaluated for its visible-light-assisted degradation of methylene blue (MB). The structural, morphological, and optical characteristics of the composites were systematically investigated using XRD, FT-IR, FESEM, BET, and UV–Vis analyses. The results confirmed the successful construction of Ni/Mg/g-C3N4 heterojunctions with strong interfacial coupling and enhanced surface porosity. Among all samples, the Ni/Mg/CN20 composite exhibited the highest activity, achieving 66% MB degradation within 180 min under visible light. This superior performance was attributed to synergistic effects arising from efficient interfacial charge transfer, broadened light absorption, and abundant active sites. The composite also displayed excellent thermal stability. This work demonstrates that the rational control of g-C3N4 loading plays a decisive role in tuning the physicochemical and catalytic properties of Ni/Mg/g-C3N4 composites. The findings provide new insights into the design of cost-effective, thermally stable, and high-performance photocatalysts for visible-light-driven wastewater treatment. Full article
(This article belongs to the Section Composites Applications)
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31 pages, 5475 KB  
Review
Tunable SiC-Based Photocatalysts for Hydrogen Generation and Environmental Remediation
by Dina Bakranova, David Nagel, Nurlan Bakranov, Farida Kapsalamova and Danil Boukhvalov
Int. J. Mol. Sci. 2026, 27(2), 774; https://doi.org/10.3390/ijms27020774 - 13 Jan 2026
Viewed by 176
Abstract
Silicon carbide (SiC) has emerged as a robust and tunable semiconductor for advanced photocatalytic applications. This review provides a comprehensive overview of recent progress in the development of SiC-based materials for environmental remediation and solar-driven hydrogen production. Key aspects discussed include morphological engineering, [...] Read more.
Silicon carbide (SiC) has emerged as a robust and tunable semiconductor for advanced photocatalytic applications. This review provides a comprehensive overview of recent progress in the development of SiC-based materials for environmental remediation and solar-driven hydrogen production. Key aspects discussed include morphological engineering, heterostructure design, doping strategies, and plasmonic enhancement. Emphasis is placed on structure–activity relationships, insights from density functional theory (DFT) and machine learning (ML) models, and synergistic effects in composite systems. This review concludes with a critical analysis of current challenges and future research directions, highlighting the potential of SiC implementation as a sustainable platform for next-generation photocatalytic technologies. Full article
(This article belongs to the Special Issue Functional Materials in Photocatalysis: From Design to Application)
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26 pages, 7676 KB  
Article
Effects of WO3 Amount and Treatment Temperature on TiO2-ZrO2-WO3 Photocatalysts Used in the Solar Photocatalytic Oxidation of Sildenafil
by Jhatziry Hernández Sierra, Jorge Cortez Elizalde, José Gilberto Torres Torres, Adib Abiu Silahua Pavón, Adrian Cervantes Uribe, Adrian Cordero García, Zenaida Guerra Que, Gerardo Enrique Córdova Pérez, Israel Rangel Vázquez and Juan Carlos Arevalo Perez
Catalysts 2026, 16(1), 82; https://doi.org/10.3390/catal16010082 - 10 Jan 2026
Viewed by 214
Abstract
TiO2 shows improved photocatalytic properties when combined with other oxides, such as ZrO2. Unfortunately, this material does not exhibit a spectral response in the visible range, but this can be improved by adding WO3. Here, the effect of [...] Read more.
TiO2 shows improved photocatalytic properties when combined with other oxides, such as ZrO2. Unfortunately, this material does not exhibit a spectral response in the visible range, but this can be improved by adding WO3. Here, the effect of the amount of WO3 and the treatment temperature on TiO2-ZrO2-WO3 materials applied in the solar photocatalytic oxidation of sildenafil was evaluated. The materials were synthesized using the sol–gel method and were characterized by N2, XRD, UV-Vis RDS, SEM, PL, and XPS. Photocatalytic activity was determined by the degradation and mineralization of sildenafil. The most active photocatalysts were selected for stability testing and to determine the oxidizing species that dominate the reaction mechanism. The optimal amount of WO3 that improves solar photocatalytic activity at both treatment temperatures was found to be 1% with a reaction mechanism based on OH· and h+. WO3 reduces electron–hole pair recombination. At 500 °C, the crystallinity of the anatase phase is improved, while at 800 °C, the transformation to rutile is suppressed at low WO3 concentrations. XPS observed the reduction in Ti4+ to Ti3+ and W6+ to W5+ in TiO2–ZrO2–WO3 materials, which were found to be photoactive under sunlight with potential for use in industrial-scale reaction systems. Full article
(This article belongs to the Special Issue Advances in Photocatalytic Degradation, 2nd Edition)
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12 pages, 2346 KB  
Article
DFT Insights into Ru3 Clusters on Pristine and Defective Anatase TiO2 (101) Covering Structural Stability Electronic Modifications and Photocatalytic Implications
by Moteb Alotaibi and Talal F. Qahtan
Catalysts 2026, 16(1), 81; https://doi.org/10.3390/catal16010081 - 10 Jan 2026
Viewed by 246
Abstract
This study investigates the interaction of Ru3 clusters with pristine and defective anatase (101) TiO2 surfaces using density functional theory (DFT) to evaluate their structural stability, electronic modifications, and photocatalytic potential. The results show that Ru3 clusters strongly bind to [...] Read more.
This study investigates the interaction of Ru3 clusters with pristine and defective anatase (101) TiO2 surfaces using density functional theory (DFT) to evaluate their structural stability, electronic modifications, and photocatalytic potential. The results show that Ru3 clusters strongly bind to both pristine and defective surfaces, with oxygen vacancies acting as anchoring sites that further stabilize the clusters. Electronic structure analysis reveals the formation of mid-gap states due to hybridization between Ru and Ti orbitals, extending visible light absorption. On defective surfaces, synergistic effects between Ru3 clusters and vacancy-induced states further enhance charge separation and reduce recombination. Band structure and wavefunction analyses confirm these findings, highlighting Ru3-decorated anatase TiO2 as a promising system for hydrogen evolution and CO2 reduction. The outcomes of this computational investigation provide valuable insights into the rational design of advanced photocatalysts for sustainable energy applications. Full article
(This article belongs to the Section Computational Catalysis)
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14 pages, 4258 KB  
Article
Highly Efficient Photocatalytic Degradation of Bisphenol A Under UV–Visible Light Irradiation Using Au/Zn3In2S6 Schottky Junction Photocatalyst
by Di Chen, Aoyun Meng, Zhen Li and Jinfeng Zhang
Int. J. Mol. Sci. 2026, 27(2), 705; https://doi.org/10.3390/ijms27020705 - 10 Jan 2026
Viewed by 168
Abstract
Designing and constructing heterojunctions has emerged as a pivotal strategy for improving the photocatalytic efficiency of semiconductors. In this study, we report the controlled synthesis of an Au/Zn3In2S6 Schottky junction through a combination of hydrothermal and in situ [...] Read more.
Designing and constructing heterojunctions has emerged as a pivotal strategy for improving the photocatalytic efficiency of semiconductors. In this study, we report the controlled synthesis of an Au/Zn3In2S6 Schottky junction through a combination of hydrothermal and in situ photodeposition methods. The structural, morphological, and photoelectrochemical properties of the catalyst were meticulously characterized using a suite of techniques including X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), diffuse reflectance spectroscopy (DRS), X-ray photoelectron spectroscopy (XPS), photoelectrochemical (PEC) measurements, and electron spin resonance (ESR) spectroscopy. The optimized 3% Au/Zn3In2S6 composite exhibited a remarkable enhancement in both photocatalytic activity and stability, achieving a 90.4% removal of bisphenol A (BPA) under UV–visible light irradiation within 100 min. The corresponding first-order reaction rate constant was approximately 1.366 h−1, nearly 4.37 times greater than that of the pristine Zn3In2S6. This substantial improvement can be attributed to several key factors, including increased BPA adsorption, enhanced light absorption, and the efficient charge separation facilitated by the Au/Zn3In2S6 heterojunction. Photogenerated holes, superoxide radicals, and hydroxyl radicals were identified as the primary reactive species responsible for the BPA degradation. This work highlights the potential of metal-modified semiconductors for advanced photocatalytic applications, offering insights into the design of highly efficient materials for environmental remediation. Full article
(This article belongs to the Section Physical Chemistry and Chemical Physics)
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