Catalysts

19 pages, 14973 KB

Open AccessArticle

Core–Shell Zn–Co Zeolitic Imidazolate Framework-Derived Catalysts for the Reverse Water–Gas Shift Reaction

by Krittanun Deekamwong, Nichakorn Pornnongsan, Pimrapus Tawachkultanadilok, Yingyot Poo-Arporn, Wanwisa Limphirat, Sirinuch Loiha, Pobporn Promchan, Jatuporn Wittayakun and Sanchai Prayoonpokarach

Catalysts 2026, 16(8), 737; https://doi.org/10.3390/catal16080737 - 19 Aug 2026

Abstract

The reverse water–gas shift (RWGS) reaction is a promising route for converting CO₂ into CO, an important feedstock for synthetic fuels and chemicals. In this study, Zn–Co zeolitic imidazolate frameworks (ZIFs), including ZIF-8, ZIF-67, ZIF-67-8, and the core–shell structures ZIF-8@67 and ZIF-67@8, [...] Read more.

The reverse water–gas shift (RWGS) reaction is a promising route for converting CO₂ into CO, an important feedstock for synthetic fuels and chemicals. In this study, Zn–Co zeolitic imidazolate frameworks (ZIFs), including ZIF-8, ZIF-67, ZIF-67-8, and the core–shell structures ZIF-8@67 and ZIF-67@8, were synthesized as catalyst precursors and thermally activated prior to catalytic testing. Transmission electron microscopy and elemental mapping confirmed the formation of well-defined core–shell architectures, while synchrotron X-ray diffraction verified the characteristic sodalite-type framework. Thermogravimetric analysis revealed substantial framework decomposition during activation at 700 °C. In situ time-resolved X-ray absorption spectroscopy (TR-XAS) showed that Zn remained predominantly in the Zn²⁺ state throughout heating, whereas Co²⁺ underwent progressive reduction to metallic Co⁰ at temperatures approaching 600 °C. Ex situ X-ray absorption spectroscopy confirmed the presence of Zn²⁺ species and metallic cobalt after activation. Catalytic testing of the activated ZIF-derived materials showed that Co-containing catalysts exhibited significantly higher RWGS activity than Zn-only ZIF-8-derived catalyst. Among the investigated samples, ZIF-67@8_C-500 achieved the highest performance, producing 2.50 μmol CO (equivalent to 50 μmol g⁻¹ catalyst) at 600 °C with a H₂/CO₂ ratio of 2:1. The strong dependence of activity on ZIF-67 core loading indicates that metallic cobalt generated from the Co-rich core plays a dominant role in CO₂ conversion. Thermal activation transformed the highly porous ZIF precursors into metallic Co-containing carbonaceous catalysts. The resulting structural evolution, rather than retention of the original porous MOF framework, governed the catalytic performance in the RWGS reaction. Full article

(This article belongs to the Special Issue Advanced Heterogeneous Catalysts for Sustainable Chemical Transformations: From Biomass Valorization to Clean Energy)

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24 pages, 4728 KB

Open AccessArticle

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

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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15 pages, 2957 KB

Open AccessArticle

Enhanced Selective Oxidation of 5-Hydroxymethylfurfural to 2,5-Furandicarboxylic Acid over Pt–Au/XC Bimetallic Catalysts

by Chen Yang, Shiyu Li, Aiqian Jin, Zhiqing Wang, Fan Zhang, Yutang Shen, Tongjie Hu, Lingqin Shen and Hengbo Yin

Catalysts 2026, 16(8), 735; https://doi.org/10.3390/catal16080735 - 18 Aug 2026

Abstract

The catalytic valorization of biomass-derived 5-hydroxymethylfurfural (HMF) provides an important route toward sustainable chemical production. Herein, we report a bimetallic Pt₁Au₁ catalyst supported on Vulcan XC-72R carbon (Pt₁Au₁/XC) that enables efficient aerobic oxidation of HMF to [...] Read more.

The catalytic valorization of biomass-derived 5-hydroxymethylfurfural (HMF) provides an important route toward sustainable chemical production. Herein, we report a bimetallic Pt₁Au₁ catalyst supported on Vulcan XC-72R carbon (Pt₁Au₁/XC) that enables efficient aerobic oxidation of HMF to FDCA using NaHCO₃ as a weak base. Under optimized conditions (100 °C, 1 MPa O₂, NaHCO₃/HMF = 3:1, 12 h), the catalyst achieves near-quantitative HMF conversion (>99%) with an FDCA selectivity of 94.2%, substantially outperforming monometallic Pt/XC and Au/XC as well as their physical mixtures. The enhanced performance is associated with the beneficial combination of Pt and Au, together with the favorable surface and transport properties imparted by the carbon support. Kinetic and intermediate-trapping experiments indicate a dual-pathway oxidation mechanism, wherein Au facilitates aldehyde oxidation (via 5-hydroxymethyl-2-furancarboxylic acid (HMFCA)) and Pt promotes alcohol oxidation (via furan-2,5-dicarbaldehyde (DFF)), with both routes converging at 2-formyl-5-furancarboxylic acid (FFCA) for subsequent conversion to FDCA. The catalyst exhibited only a marginal decrease in catalytic activity after five consecutive cycles. Overall, this work provides insight into the roles of bimetallic effects and support properties in HMF oxidation and offers a useful strategy for designing efficient catalysts for biomass-derived furan oxidation. Full article

(This article belongs to the Special Issue Catalytic Conversion of Biomass and Its Waste Derivatives to Advance Sustainable Development)

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19 pages, 15508 KB

Open AccessArticle

Synergistic Activation of H₂O₂ over Magnetic Fe₃O₄/HNT Catalyst for Rapid Remediation of NAP-Contaminated Water

by Wei Wang, Xiaochuan Wu, Ao Gao, Zhiqian Xu, Shuang Sha, Wenhui Dong and Shujun Liu

Catalysts 2026, 16(8), 734; https://doi.org/10.3390/catal16080734 - 18 Aug 2026

Abstract

Magnetic heterogeneous Fenton Fe₃O₄/HNT catalysts were successfully synthesized using the solvothermal method. Characterization of Fe₃O₄/HNT composites involved XRD, XPS, FT-IR, SEM, BET and TEM. Results showed uniform anchoring of magnetic Fe₃O₄ nanoparticles [...] Read more.

Magnetic heterogeneous Fenton Fe₃O₄/HNT catalysts were successfully synthesized using the solvothermal method. Characterization of Fe₃O₄/HNT composites involved XRD, XPS, FT-IR, SEM, BET and TEM. Results showed uniform anchoring of magnetic Fe₃O₄ nanoparticles on HNTs’ external surface. Under pH conditions close to neutral, the catalyst achieved a naphthalene (NAP) removal efficiency exceeding 98% within 15 min while maintaining a relatively high H₂O₂ utilization rate. The catalyst exhibits significant resistance to common aqueous interferers containing anions (NO₃⁻, Cl⁻, CO₃²⁻) and humic acids. Moreover, the catalyst could be easily isolated from the solution through the use of magnetic separation technology. It displayed remarkable stability and recyclability, maintaining NAP removal efficiency above 80% even after the fifth cycle, in comparison to the initial catalyst. The excellent catalytic performance of this catalyst is attributed to the synergistic effect between HNT and Fe₃O₄. Meanwhile, the diverse Fenton catalytic process of Fe₃O₄/HNT was explained, indicating that hydroxyl radicals (•OH) and superoxide anion radicals (•O₂⁻) were key in eliminating NAP in the Fe₃O₄/HNT-H₂O₂ setup. Full article

(This article belongs to the Special Issue Recent Advances in Fenton and Fenton-Like Catalysts)

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27 pages, 4366 KB

Open AccessArticle

Dual Role of SiC Modification in Enhancing the Stability of Ni-Based Catalysts for CO/CO₂ Co-Methanation

by Dongyu Liu, Benhuan Chen, Yujie Li, Leizhen Zhu, Chao Zhang, Xin Lu and Yixin Lian

Catalysts 2026, 16(8), 733; https://doi.org/10.3390/catal16080733 - 18 Aug 2026

Abstract

CO/CO₂ co-methanation provides an effective route for the high-value utilization of coke oven gas and carbon-rich industrial off-gases. However, the highly exothermic nature of methanation readily induces local hot spots, leading to Ni particle sintering, pore blockage, carbon deposition, and surface passivation, [...] Read more.

CO/CO₂ co-methanation provides an effective route for the high-value utilization of coke oven gas and carbon-rich industrial off-gases. However, the highly exothermic nature of methanation readily induces local hot spots, leading to Ni particle sintering, pore blockage, carbon deposition, and surface passivation, which severely restrict the long-term stability of catalysts. In this work, Ni-Mn/Ti-Zr-La-Ce and SiC-modified Ni-Mn/Ti-Zr-La-Ce-SiC catalysts were constructed to systematically elucidate the role of SiC in enhancing catalyst stability during CO/CO₂ co-methanation. Stability tests showed that the SiC-modified catalyst maintained nearly complete CO and CO₂ conversions during long-term operation at 250 °C, 1.0 MPa, and a GHSV of 5000 h⁻¹, whereas the unmodified catalyst exhibited obvious deactivation, particularly in CO₂ conversion. Spectroscopic and structural characterizations revealed a dual mechanism for the stability enhancement induced by SiC. On the one hand, SiC provides physical anchoring and thermal-management effects: it strengthens the metal–support interaction, suppresses Ni particle growth and sintering, and alleviates local hot-spot formation through its high thermal conductivity, thereby preserving the catalyst structure. On the other hand, SiC exerts electronic and surface-chemical regulation effects: it stabilizes Ni⁰ sites required for CO hydrogenation, moderates CO₂ adsorption, promotes the hydrogenation of reaction intermediates, and inhibits carbon deposition. These two effects act synergistically to optimize both thermal management and interfacial stability. This study provides a theoretical basis and practical guidance for the design of efficient and stable CO/CO₂ co-methanation catalysts for industrial applications. Full article

(This article belongs to the Special Issue Catalysis for Sustainable Environmental Solutions)

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15 pages, 3058 KB

Open AccessFeature PaperArticle

Synthesis of Unsymmetrical Alkyl Carbonate from Diethyl Carbonate and Benzyl Alcohol with N-Doped Carbon-Supported Iron Oxide Catalysts

by He Sun, Xinyu Chang, Songsong Miao, Yan Ding, Jinghui Shi, Xiaoling Yuan and Mingjun Jia

Catalysts 2026, 16(8), 732; https://doi.org/10.3390/catal16080732 - 17 Aug 2026

Abstract

Developing simple and efficient heterogeneous catalysts for transesterification of dialkyl carbonates with alcohols is very significant for achieving green syntheses of unsymmetrical alkyl carbonates. Here, a set of N-doped carbon material (NCM)-supported iron oxides was prepared for catalytic application in transesterification of diethyl [...] Read more.

Developing simple and efficient heterogeneous catalysts for transesterification of dialkyl carbonates with alcohols is very significant for achieving green syntheses of unsymmetrical alkyl carbonates. Here, a set of N-doped carbon material (NCM)-supported iron oxides was prepared for catalytic application in transesterification of diethyl carbonate (DEC) with benzyl alcohol to synthesize benzyl ethyl carbonate (BEC). Various characterization results demonstrated that introducing a small amount of iron salts onto the NCM support generated a number of weak Lewis acidic centers after the impregnation–calcination process. The condition-optimized catalyst named 6.0%Fe₂O₃/NCM-600 displayed very high catalytic activity, selectivity and stability in the transesterification reaction, showing 95% conversion of benzyl alcohol and 98% selectivity to benzyl ethyl carbonate under mild conditions, much better than iron oxide catalysts supported on other carriers (active carbon, SiO₂ and Al₂O₃). The weak-to-medium Lewis acidic sites derived from the interaction between the highly dispersed Fe₂O₃ and NCM support were the main active centers, while the neighboring basic N-containing groups of NCM might also have promoted the activation of the reagents, thus synergistically catalyzing the transesterification of DEC with alcohols to generate unsymmetrical alkyl carbonates. Full article

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19 pages, 3349 KB

Open AccessArticle

Fine Tuning of Ag₃PO₄/g-C₃N₄ Hybrid Nanostructure Catalyst for Natural Sunlight-Assisted Cationic Dye Neutralization

by Ali Alsulmi, Sameh Ahmed Afifi, Abdullah A. Gad, Michel Fahmy Abdel-Messih, Ayman Sultan and Mohamed Abdelhay Ahmed

Catalysts 2026, 16(8), 731; https://doi.org/10.3390/catal16080731 - 17 Aug 2026

Abstract

Photocatalysis is a promising route for the environmentally friendly destruction of organic pollutants and recycling the polluted water in industrial contexts for future environmental challenges. In this novel research work, the coupling of definite proportions of silver phosphate and g-C₃N₄ [...] Read more.

Photocatalysis is a promising route for the environmentally friendly destruction of organic pollutants and recycling the polluted water in industrial contexts for future environmental challenges. In this novel research work, the coupling of definite proportions of silver phosphate and g-C₃N₄ is carried out sonochemically for engineering S-scheme Ag₃PO₄/g-C₃N₄ heterojunctions. With the data obtained from a N₂-adsorption–desorption isotherm, a diffuse reflectance spectrum, X-ray diffraction, a high-resolution transmission electron microscope and zeta potential measurement, as-synthesized nanocomposites are fully characterized and defined. Successful coupling of Ag₃PO₄/g-C₃N₄ heterojunctions was verified given the existence of diffraction peaks of g-C₃N₄ and Ag₃PO₄; the shift in the peak position of the DRS spectrum of g-C₃N₄ from 440 to 463 nm; and the decrease of 68% in the photoluminescence emission peak. The crystalline size of the nanocomposite decreased from 76 to 25 nm, which was ascribed to coupling of Ag₃PO₄ on g-C₃N₄ under sonochemical conditions. The as-synthesized nanocomposites exhibited different trends in the destruction of rhodamine B dye. The experimental results indicated that the sample containing 15 weight % of Ag₃PO₄ degraded 89% of the RhB dye. Precise analysis of reactive radicals species experiments indicated that superoxide radicals and positive roles directed the charge transportation between g-C₃N₄ and Ag₃PO₄ semiconductors toward the S-scheme mechanism that produces charge radicals of auspicious redox efficiency. Full article

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18 pages, 2225 KB

Open AccessFeature PaperArticle

Molecular Origin of the Enhanced PET Degradation Activity of LCC-ICCG Revealed by Computational Modeling

by Changyi Li, Dong-Qing Wei, Wei Miao and Jiayi Li

Catalysts 2026, 16(8), 730; https://doi.org/10.3390/catal16080730 - 17 Aug 2026

Abstract

Poly(ethylene terephthalate) (PET) hydrolases have emerged as promising biocatalysts for closed-loop plastic recycling. Among the most efficient enzymes reported to date, LCC-ICCG exhibits exceptional PET-depolymerization performance under industrially relevant conditions. However, the molecular basis for its superior activity relative to engineered PETases such [...] Read more.

Poly(ethylene terephthalate) (PET) hydrolases have emerged as promising biocatalysts for closed-loop plastic recycling. Among the most efficient enzymes reported to date, LCC-ICCG exhibits exceptional PET-depolymerization performance under industrially relevant conditions. However, the molecular basis for its superior activity relative to engineered PETases such as FAST-PETase and HotPETase remains incompletely understood. Here, we combine microsecond-scale molecular dynamics simulations, quantum mechanical cluster calculations, pre-reaction-state analysis, noncovalent-interaction mapping, and distortion/interaction activation strain analysis to compare LCC-ICCG with FAST-PETase and HotPETase. The simulations show that LCC-ICCG samples catalytically competent pre-reaction-state geometries more frequently, mainly because V212 reshapes the local environment around the scissile ester. This residue relieves steric congestion, supports weak C–H···O guided substrate preorganization, and reinforces both the Asp-His catalytic dyad and the W190-associated pocket architecture. Density functional theory calculations further indicate that this preorganized active site lowers the acylation barrier to 15.5 kcal/mol by reducing substrate distortion and strengthening transition-state interactions. High-temperature simulations show that LCC-ICCG better preserves near-attack geometries at 350 K, linking thermal robustness to sustained catalytic preorganization. Moreover, reciprocal I208V mutations in IsPETase-derived enzymes enrich pre-reaction-state populations, supporting the transferability of the V212-centered design principle. Overall, these results establish pre-reaction-state stabilization as a key determinant of PET-hydrolase efficiency and provide mechanistic design rules for engineering next-generation PET depolymerases. Full article

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14 pages, 3798 KB

Open AccessFeature PaperArticle

Directional Felt–Mesh Stainless-Steel Anodes for Zero-Gap Alkaline Water Electrolysis: Bubble-Size Gradients, In Situ NiFe (Oxy)hydroxide Activation, and the Convergence of Architecture and Surface Chemistry

by Jieun Kim and Sung Hoon Ahn

Catalysts 2026, 16(8), 729; https://doi.org/10.3390/catal16080729 - 17 Aug 2026

Abstract

Oxygen bubbles, not catalysis, limit the anode of zero-gap alkaline water electrolysis (AWE) at industrial current densities. Here we compare stainless-steel (SS) mesh (M), felt (F), and a bonded felt–mesh bilayer mounted with the felt facing the Zirfon separator (FM) or reversed (MF) [...] Read more.

Oxygen bubbles, not catalysis, limit the anode of zero-gap alkaline water electrolysis (AWE) at industrial current densities. Here we compare stainless-steel (SS) mesh (M), felt (F), and a bonded felt–mesh bilayer mounted with the felt facing the Zirfon separator (FM) or reversed (MF) in a zero-gap cell (6 M KOH, 80 °C), bare and Ni-plated. On bare SS, architecture dominates: the felt generates fine bubbles (54 μm) and the mesh coarse ones (109 μm), and the correctly oriented bilayer exploits this contrast—fine generation at the separator, coarse evacuation (95 μm) through the mesh—to deliver 1.85 V at 1.0 A cm⁻², whereas the reversed stack is the worst electrode tested, showing voltage fluctuations symptomatic of interfacial gas blanketing. Ni plating improves every architecture (bilayer: 391 → 325 mV OER overpotential; 1.85 → 1.80 V) yet compresses the differences between them. Voltammetry and X-ray photoelectron spectroscopy show why: OER cycling converts the plated Ni into an Fe-incorporated NiFe (oxy)hydroxide—Fe appearing despite a nominally Fe-free bath—whose hydrophilicity shrinks bubbles on every architecture. Architecture and surface chemistry are thus complementary attacks on the same gas-management problem, and stacking orientation is a free design variable that no catalyst can replace. Operando impedance at 1.8 V and an overpotential decomposition price the penalty: flipping the electrode nearly triples the gas-transport overpotential at 1.0 A cm⁻², from ≈140 to ≈402 mV, while ohmic and kinetic terms remain nearly untouched. Full article

(This article belongs to the Collection Layered Double Hydroxides and Related Materials for Advanced Heterogeneous Catalytic Processes)

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17 pages, 2457 KB

Open AccessArticle

Efficient Hydrogen-Rich Syngas Production via Synergistic Tar Cracking and Sorption-Enhanced Steam Gasification of Woody Waste over Ni/CaO Catalysts

by Yao He, Ziming Mo, Jingyong Liu and Zhuowen Xie

Catalysts 2026, 16(8), 728; https://doi.org/10.3390/catal16080728 - 14 Aug 2026

Abstract

Steam gasification of woody waste represents a sustainable pathway for addressing environmental issues with energy recovery. However, challenges such as low hydrogen content and high tar yield severely limit the gasification efficiency and hinder its large-scale application. In this study, a composite Ni/CaO [...] Read more.

Steam gasification of woody waste represents a sustainable pathway for addressing environmental issues with energy recovery. However, challenges such as low hydrogen content and high tar yield severely limit the gasification efficiency and hinder its large-scale application. In this study, a composite Ni/CaO catalyst was developed to enhance the yield of H₂-rich syngas in woody waste gasification, with Ni loading serving as the active site for catalytic cracking and CaO support as the CO₂ sorbent for sorption-enhancement. Ni nanoparticles ranging from 18 to 28 nm in diameter are uniformly distributed on the CaO support. At 700 °C, Ni/CaO with 10 wt.% Ni loading enables the 455.4 mL/g H₂ yield with an H₂/CO ratio of 1.93, representing increases of 137% and 230%, respectively, compared to non-catalytic conditions. Meanwhile, the tar yield was 12.1 wt.% with an aromatics selectivity of 37%, corresponding to reductions of 50.2% and 54%, respectively. Characterizations confirmed that Ni particles were uniformly distributed on the support in the form of metallic Ni. The Ni active sites promote syngas production by facilitating the cleavage of C-C and C-H bonds in volatiles, while the CaO support enhances H₂ generation by shifting the water–gas shift reaction equilibrium forward. This study provides a promising strategy for enhancing hydrogen-rich syngas production from woody waste gasification. Full article

(This article belongs to the Special Issue Catalysis for Solid Waste Upcycling: Challenges and Opportunities)

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18 pages, 15044 KB

Open AccessFeature PaperArticle

Sugar-Mediated Structural Regulation of Cu/ZnO/ZrO₂ Catalysts for CO₂ Hydrogenation to Methanol

by Minghui Zhao, Shaohua She, Lijiang Fan and Eika W. Qian

Catalysts 2026, 16(8), 727; https://doi.org/10.3390/catal16080727 - 14 Aug 2026

Abstract

The performance of CO₂ hydrogenation to methanol strongly depends on catalyst structure, which can be effectively regulated through the synthesis method. Herein, different sugars (xylose, glucose, fructose, and sucrose) were utilized as complexing agents in the sol–gel method to prepare Cu/ZnO/ZrO₂ [...] Read more.

The performance of CO₂ hydrogenation to methanol strongly depends on catalyst structure, which can be effectively regulated through the synthesis method. Herein, different sugars (xylose, glucose, fructose, and sucrose) were utilized as complexing agents in the sol–gel method to prepare Cu/ZnO/ZrO₂ catalysts with varying physicochemical properties, thereby enabling the establishment of structure–activity relationships. The catalytic test results showed that the catalyst prepared with the assistance of glucose (CZZ-Glc) exhibited superior catalytic performance, with a STY of 316.87 mg

g_{cat}^{- 1}

h⁻¹, CO₂ conversion of 12.44%, and methanol selectivity of 59.36% at 240 °C, 3 MPa, and GHSV = 12,000 mL

g_{cat}^{- 1}

h⁻¹. Structural characterizations revealed that the CZZ-Glc catalyst had a smaller particle size and a higher Cu surface area, which strengthened the interactions between active phases. Additionally, XPS results revealed that more oxygenated carbon groups (C–O and C=O) were present on the CZZ-Glc catalyst. Both features could facilitate H₂ spillover, leading to an increased concentration of surface *H species. In situ DRIFTS experiments revealed that CO₂ hydrogenation to methanol over the obtained catalyst followed the formate pathway, and that hydrogenation of adsorbed CO₂ and intermediates was obviously promoted on the CZZ-Glc catalyst. These results highlight the importance of synthesis strategy in regulating catalyst structure and provide new insights into the development of high-performance catalysts for CO₂ hydrogenation to methanol. Full article

(This article belongs to the Section Catalysis for Sustainable Energy)

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9 pages, 1579 KB

Open AccessFeature PaperArticle

Pt-Vulcan Nanocomposites: Efficient Catalyst for the Methanolysis of Ammonia-Borane

by Elif Şeki Demirci, Kenan Çakmak and Melike Sevim

Catalysts 2026, 16(8), 726; https://doi.org/10.3390/catal16080726 - 14 Aug 2026

Abstract

Herein, we report monodisperse platinum nanoparticles supported on Vulcan Carbon. Pt-Vulcan, a highly efficient and cost-effective nanocomposite, was employed for the methanolysis of ammonia-borane. The Pt-Vulcan catalyst was characterized using advanced analytical techniques, including TEM, XRD, XPS, and ICP-MS. Following detailed characterization, the [...] Read more.

Herein, we report monodisperse platinum nanoparticles supported on Vulcan Carbon. Pt-Vulcan, a highly efficient and cost-effective nanocomposite, was employed for the methanolysis of ammonia-borane. The Pt-Vulcan catalyst was characterized using advanced analytical techniques, including TEM, XRD, XPS, and ICP-MS. Following detailed characterization, the Pt-Vulcan catalyst was used to methanolize ammonia-borane under mild conditions. It exhibited a high TOF of 265 min⁻¹ and was recyclable as a methanolysis catalyst. The activation energy for the methanolysis of ammonia-borane catalyzed by Pt-Vulcan was determined to be Ea = 42.5 kJ/mol. Full article

(This article belongs to the Topic Advances in Hydrogen Energy)

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16 pages, 5612 KB

Open AccessArticle

Reconstruction of Bi₂O₂CO₃/Bi₂O₂SO₄ Heterojunction Catalysts for the Reduction of Electrocatalytic CO₂ to Formate

by Hongtao Xie, Limi Yan, Shijian Lu, Pengcheng Xiang, Dongliang Liu and Lili Wang

Catalysts 2026, 16(8), 725; https://doi.org/10.3390/catal16080725 - 14 Aug 2026

Abstract

The electrocatalytic reduction of CO₂ into value-added chemicals offers a promising route to mitigate greenhouse gas emissions, yet the uncontrollable structural reconstruction and surface rearrangement of electrocatalysts during operation often lead to severe activity degradation. Herein, we reveal that Bi₂O [...] Read more.

The electrocatalytic reduction of CO₂ into value-added chemicals offers a promising route to mitigate greenhouse gas emissions, yet the uncontrollable structural reconstruction and surface rearrangement of electrocatalysts during operation often lead to severe activity degradation. Herein, we reveal that Bi₂O₂SO₄ (BSO) undergoes an irreversible phase transformation into Bi₂O₂CO₃ (BCO) nanosheets accompanied by the partial reduction of Bi³⁺ to metallic Bi⁰ under cathodic potentials. A series of BCO/BSO heterojunction catalysts with tunable compositions are synthesized via a mild in situ ion-exchange method. To circumvent the detrimental effects of this dynamic reconstruction, we devise a pre-activation strategy that deliberately completes the structural evolution prior to electrocatalysis. The optimized 20%-BCO/BSO heterojunction achieves a remarkable Faradaic efficiency of 98.4% for formate production in a flow cell at elevated potentials, with >95% FE_(HCOOH) over a wide potential window (−0.8 to −1.7 V vs. RHE). In situ infrared spectroscopy elucidates that the reconstructed interface can promote CO₂ adsorption, stabilize the *OCHO intermediate, and facilitate HCOOH desorption. This work provides experimental evidence of the reconstruction behaviour of bismuth-based catalysts and offers a rational design method for constructing structurally stable heterojunction electrocatalysts. Full article

(This article belongs to the Special Issue Synthesis and Catalytic Applications of Advanced Porous Materials, 2nd Edition)

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4 pages, 138 KB

Open AccessEditorial

Editorial: Heterogeneous Catalysis for Sustainable Biofuel Production

by Armin Rezayan, Heng Zhang and Dan Wu

Catalysts 2026, 16(8), 724; https://doi.org/10.3390/catal16080724 - 13 Aug 2026

Abstract

The transition toward sustainable and low-carbon energy systems has become a global priority in response to escalating climate change, environmental degradation, and the depletion of fossil resources [...] Full article

(This article belongs to the Special Issue Heterogeneous Catalysis for Sustainable Biofuel Production)

18 pages, 14500 KB

Open AccessFeature PaperArticle

Study on the Catalytic Conversion Mechanism of Methyldichlorosilane Based on Density Functional Theory

by Yu Hou, Xueqian Lv and Guoqiang Huang

Catalysts 2026, 16(8), 723; https://doi.org/10.3390/catal16080723 - 13 Aug 2026

Abstract

Improving the separation efficiency between methyldichlorosilane (CH₃SiHCl₂) and trichlorosilane (SiHCl₃) is one of the key urgent problems to be solved for the quality improvement and consumption reduction in high-purity polysilicon. In this work, three types of porous [...] Read more.

Improving the separation efficiency between methyldichlorosilane (CH₃SiHCl₂) and trichlorosilane (SiHCl₃) is one of the key urgent problems to be solved for the quality improvement and consumption reduction in high-purity polysilicon. In this work, three types of porous supported catalysts were prepared via an in situ reaction method, taking aluminum chloride (AlCl₃) as the active component and activated carbon, silica gel and activated alumina as support; the catalytic reaction mechanisms of CH₃SiHCl₂ and silicon tetrachloride (SiCl₄) over the as-prepared porous supported catalysts were investigated, based on density functional theory (DFT). The results reveal that among the three supported catalysts, the activated carbon-supported aluminum chloride catalyst (C@AlCl₃) possesses the maximum binding energy (−3.20 eV) between the active component and support. CH₃SiHCl₂ and SiCl₄ possess the lowest co-adsorption energy (−1.8 eV) and the minimum reaction energy barrier (0.8 eV) on C@AlCl₃, accompanied by the maximum charge transfer to the catalyst surface (−2.65 e and −2.80 e), thus exhibiting the highest catalytic activity, with the maximum single-pass conversion of CH₃SiHCl₂ exceeding 90%. This work provides material basis and theoretical guidance for constructing a reactive distillation strategy for high-efficiency and low-energy separation of CH₃SiHCl₂ from SiHCl₃. Full article

(This article belongs to the Section Catalytic Materials)

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20 pages, 4869 KB

Open AccessReview

Polydopamine-Modified Zinc Oxide and Titanium Dioxide for Photocatalytic Degradation of Organic Pollutants

by Ntombizanele Jafta, Ntsoaki Joyce Malebo, Mpho Phillip Motloung, Khanyisile Sheer Dhlamini, Bakang Moses Mothudi and Mokgaotsa Jonas Mochane

Catalysts 2026, 16(8), 722; https://doi.org/10.3390/catal16080722 - 12 Aug 2026

Abstract

The contamination of water bodies with organic pollutants has emerged as one of the most pressing environmental and public health challenges of the modern era. The continuous discharge of dyes, pesticides, agricultural runoff, and pharmaceutical residues into the aquatic ecosystem degrades water quality. [...] Read more.

The contamination of water bodies with organic pollutants has emerged as one of the most pressing environmental and public health challenges of the modern era. The continuous discharge of dyes, pesticides, agricultural runoff, and pharmaceutical residues into the aquatic ecosystem degrades water quality. Long-term exposure to these organic pollutants poses a severe risk to human and aquatic life. ZnO and TiO₂ have emerged as promising photocatalysts, particularly for degrading organic waste in wastewater. However, their photocatalytic activity is limited to the UV region due to their wide band gaps. To improve nanoparticle efficiency, polydopamine (PDA) is incorporated as a modifying agent. PDA-modified ZnO and TiO₂ nanocomposites exhibit enhanced photocatalytic activity in the degradation of various organic pollutants under visible light, compared with their unmodified counterparts. Furthermore, they exhibit improved antibacterial activity against a variety of waterborne pathogens; this is advantageous as wastewater contains both chemical pollutants and microorganisms. Thus, the combined photocatalytic and antibacterial properties of PDA-modified ZnO and TiO₂ make them promising materials for next-generation wastewater treatment. Full article

(This article belongs to the Special Issue Catalytic Processes in Environmental Applications)

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22 pages, 6285 KB

Open AccessArticle

Bacillus sp. Tol1-mdiated Decolorization and Synthesis of EPS-Stabilized Biogenic Silver Nanoparticle for Photocatalytic Removal of Disperse Red 1

by Aparna Banerjee, Sura Jasem Mohammed Breig, Saja Mohsen Alardhi, Iván Nancucheo, Cristian Valdés, Heman Bhuyan, Alex R. Gonzalez, Sergio Benavides-Valenzuela and Shrabana Sarkar

Catalysts 2026, 16(8), 721; https://doi.org/10.3390/catal16080721 - 11 Aug 2026

Abstract

Synthetic azo dyes are the largest class of industrial colorants having widespread application in textile, food, cosmetic, and pharmaceutical industries. Moreover, they are persistent and toxic, threatening aquatic environments as well as human health. Disperse red 1 (DR1), a mono-azo dye belonging to [...] Read more.

Synthetic azo dyes are the largest class of industrial colorants having widespread application in textile, food, cosmetic, and pharmaceutical industries. Moreover, they are persistent and toxic, threatening aquatic environments as well as human health. Disperse red 1 (DR1), a mono-azo dye belonging to the disperse dye group and widely used in polyester dyeing, cosmetics, and other applications, is of particular concern due to its mutagenic potential and resistance to conventional treatment processes. The present study investigated an integrated DR1 removal strategy using thermotolerant Bacillus licheniformis Tol1 as well as its EPS-stabilized biogenic silver nanoparticles (AgNPs). With a maximum tolerable concentration of 0.5 g L⁻¹, B. licheniformis Tol1 showed a maximum decolorization of 70.86% (0.2 g L⁻¹, 55 °C). However, response surface methodology (RSM) based on the Box–Behnken design showed an actual decolorization efficiency of 73.13%. The artificial neural network (ANN) model predicted an accuracy of R² = 0.9933, confirming the robustness and reliability of the experimental findings. To enhance dye removal efficiency, Tol1 EPS-stabilized AgNPs were synthesized via a green method and characterized using UV-Vis, SEM-EDAX, TEM, AFM, FTIR, DLS and zeta potential. Characterization of AgNP confirmed the formation of spherical stable AgNPs with an average size of 19.99 ± 0.38 nm, indicating polydisperse colloids nature with moderate electrostatic stability. A sunlight/H₂O₂-assisted process (photocatalytic experiments) demonstrated DR1 decolorization (80.72 ± 1.72% within 5 h under sunlight) following pseudo-first-order kinetics (k = 0.271 h⁻¹). Furthermore, FTIR analysis confirmed the degradation of the chemical structure of DR1 through the disappearance of the characteristic azo (–N=N–) bond, indicating cleavage of the dye molecule. Overall, the present study provides a dual biological–nanotechnological approach for DR1 decolorization using single bacteria as well as its polysaccharide-stabilized AgNP, a sustainable eco-friendly future approach. However, further studies on complete mineralization, transformation products, toxicity evaluation, detailed catalyst reusability, and silver (Ag) leaching are needed to facilitate the practical implementation for wastewater treatment. Full article

(This article belongs to the Special Issue Photocatalytic Nanomaterials for Environmental Purification, 2nd Edition)

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25 pages, 2951 KB

Open AccessArticle

Burkholderia lata BL02 Galactolipase as an Important Biocatalyst for Plant Biomass Deconstruction and Sugar Ester Synthesis

by Bruno Henrique de Oliveira, Valéria Marta Gomes do Nascimento and Maria de Lourdes T. M. Polizeli

Catalysts 2026, 16(8), 720; https://doi.org/10.3390/catal16080720 - 10 Aug 2026

Abstract

The transition toward sustainable biorefinery processes requires efficient strategies for lignocellulosic biomass deconstruction and valorization. In this study, an integrated enzymatic system combining fungal holocellulases and laccases with a bacterial galactolipase was developed and evaluated. The consortium, composed of Trametes hirsuta GMA-01, Mycothermus [...] Read more.

The transition toward sustainable biorefinery processes requires efficient strategies for lignocellulosic biomass deconstruction and valorization. In this study, an integrated enzymatic system combining fungal holocellulases and laccases with a bacterial galactolipase was developed and evaluated. The consortium, composed of Trametes hirsuta GMA-01, Mycothermus thermophilus CBS 619.91, and Burkholderia lata BL02, was produced using agro-industrial substrates and applied to the hydrolysis of different lignocellulosic biomasses. The incorporation of galactolipase activity enhanced the saccharification yields for leaf-derived substrates, reaching up to 292.0 mg/g for spinach leaves and 236.0 mg/g for corn straw, compared to fungal systems alone. This effect is associated with the selective hydrolysis of membrane-associated galactolipids, improving substrate accessibility to holocellulolytic enzymes. Proteomic analysis confirmed the partial identification of the BL02 enzyme as an ester hydrolase, while structural modeling based on homologous Burkholderia lipases provided preliminary insights into features that may be compatible with the accommodation of bulky polar substrates. In addition, the enzyme catalyzed the synthesis of sugar fatty acid esters with conversion yields above 50% for glucose and xylose in binary solvent systems. These findings support the role of galactolipases as accessory enzymes and highlight their potential application in integrated and sustainable biorefinery processes. Full article

(This article belongs to the Special Issue Biocatalysis-Driven Catalytic Routes for Green and Alternative Chemical Production)

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19 pages, 6342 KB

Open AccessArticle

Catalyst-Assisted High-Voltage DC Discharge for the Degradation of Methylene Blue in Wastewater

by Md. Abdul Halim, M. Ahasan Habib, Shayla Haque Nazer and Ruma

Catalysts 2026, 16(8), 719; https://doi.org/10.3390/catal16080719 - 10 Aug 2026

Abstract

The high color intensity, chemical stability, and toxic persistence of textile dye wastewater form a serious environmental problem. In this work, the degradation of methylene blue (MB) using a high-voltage discharge plasma (HVDP) system has been studied, with a focus on plasma–catalyst interactions. [...] Read more.

The high color intensity, chemical stability, and toxic persistence of textile dye wastewater form a serious environmental problem. In this work, the degradation of methylene blue (MB) using a high-voltage discharge plasma (HVDP) system has been studied, with a focus on plasma–catalyst interactions. A high-voltage DC surface-discharge reactor with a point-to-plane electrode configuration was used. The positive electrode was placed in the air, and the negative electrode was placed in the dye solution. A DC voltage was applied to generate plasma discharge at the air–liquid interface. The influence of solution pH and conductivity, as well as the use of a magnetite (Fe₃O₄) catalyst, were systematically studied. These discharges generate a strong electric field, thereby contributing to the dye decomposition. Plasma propagation and degradation efficiency were significantly improved under the acidic conditions (pH 3). As the solution conductivity increased, the current flow also increased, but plasma chemical activity of streamer discharge decreased at higher conductivity levels. Incorporation of a magnetite catalyst led to a further enhanced decolorization performance by amplifying local electric fields and surface interactions. The highest color removal efficiency of 98.14% was obtained at optimized conditions, i.e., pH of 3, Fe₃O₄ dosage of 7.5 g/L, and DC voltage of 15.9 kV after 60 min. Results show that plasma-assisted degradation with magnetite catalysis is an efficient and sustainable method for treating dye-contaminated wastewater. Operational parameters, such as pH, conductivity, and catalyst use, should be optimized to maximize treatment efficiency. Full article

(This article belongs to the Collection Advanced Catalysts for Wastewater Remediation Technologies)

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