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Keywords = catalyst preparation method

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18 pages, 14579 KB  
Article
Preparation of Biochar-Supported N,S-BiOBr Photocatalytic Material and Optimization of Its Performance for Tetracycline Degradation
by Nianping Chi, Yang Luo, Zhenwen Yang, Yuanping Li, Zhenyu Wang and Jun Zhou
Sustainability 2026, 18(18), 9444; https://doi.org/10.3390/su18189444 - 15 Sep 2026
Abstract
Biochar was synthesized through high-temperature pyrolysis, and a biochar-supported nitrogen and sulfur co-doped BiOBr (BC/N,S-BiOBr) photocatalyst was successfully prepared via a one-step solvothermal method, which was applied for the degradation of tetracycline (TC), a widely detected representative antibiotic pollutant, in aqueous solution. This [...] Read more.
Biochar was synthesized through high-temperature pyrolysis, and a biochar-supported nitrogen and sulfur co-doped BiOBr (BC/N,S-BiOBr) photocatalyst was successfully prepared via a one-step solvothermal method, which was applied for the degradation of tetracycline (TC), a widely detected representative antibiotic pollutant, in aqueous solution. This study systematically investigated the effects of catalyst type, initial solution pH, catalyst dosage and initial TC concentration on the photocatalytic degradation process. The experimental results showed that the as-prepared BC/N,S-BiOBr composite exhibited a flower-like nanosphere morphology, characterized by a more complete three-dimensional hierarchical structure, larger specific surface area and suitable optical absorption band, which endowed the composite with significantly improved visible-light absorption capability. Under the optimized reaction conditions (pH = 5, catalyst dosage of 0.7 g/L, initial TC concentration of 10 mg/L), the degradation efficiency of TC over BC/N,S-BiOBr reached 98% after 50 min of visible-light irradiation. In situ electron paramagnetic resonance (EPR) spectroscopy combined with radical quenching experiments confirmed that the modified composite contained abundant oxygen vacancies, and the main reactive species governing TC degradation were identified as photogenerated holes (h+), hydroxyl radicals (·OH) and superoxide radicals (·O2), with their contribution to TC degradation following the order of h+ > ·OH > ·O2. In summary, by converting municipal sludge into biochar-supported N,S-BiOBr photocatalyst, the modified BC/N,S-BiOBr composite exhibits faster photocatalytic reaction kinetics and higher tetracycline removal efficiency compared with pristine BiOBr, while simultaneously enabling waste resource recovery, solar energy exploitation, and water purification, thereby comprehensively promoting sustainable development in terms of environmental remediation, resource circulation, and low-carbon operation. Full article
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23 pages, 20098 KB  
Article
S-CoAl-LDH/Fe-C3N5 Heterojunction for the Efficient Photocatalytic Reduction of Cr(VI) and Degradation of Tetracycline Complex Pollutants
by Meilan Li, Wei Gong, Jiayi Dong, Chenghui Pei, Liangliang Chang and Shan Xu
Catalysts 2026, 16(9), 822; https://doi.org/10.3390/catal16090822 - 11 Sep 2026
Viewed by 157
Abstract
Heterojunction construction is a key strategy for enhancing the photocatalytic efficiency of semiconductors. In this study, a composite of sulfur-doped CoAl layered double hydroxide and Fe-doped C3N5(S-CoAl-LDH/Fe-C3N5) was developed via a hydrothermal method for the [...] Read more.
Heterojunction construction is a key strategy for enhancing the photocatalytic efficiency of semiconductors. In this study, a composite of sulfur-doped CoAl layered double hydroxide and Fe-doped C3N5(S-CoAl-LDH/Fe-C3N5) was developed via a hydrothermal method for the synergistic oxidation-reduction degradation of the organic pollutant tetracycline (TC) and the detoxification of heavy-metal ions (Cr(VI)) in wastewater. After optimization, the CAF-4 heterojunction (the composite with 20 wt% Fe-C3N5 loading) exhibited TC degradation rates 5.51 and 3.97 times higher than those of pristine Fe-C3N5 and S-CoAl-LDH, respectively; under simulated sunlight, the Cr(VI) reduction rates were 11.75 and 4.22 times higher, respectively. The as-prepared catalyst demonstrated good stability across a wide pH range, in the presence of various cations and anions, and in different water matrices. Under coexisting pollutant conditions, the composite still achieved removal efficiencies of 82.1% for Cr(VI) and 64.7% for TC. After five cycling runs, the adsorption-photocatalytic efficiency of the composite for the removal of Cr(VI) and TC composite pollutants remained above 80%. Overall, CAF-4 shows great promise for application in the adsorption-photocatalytic treatment of wastewater containing combined Cr(VI) and TC pollution. Full article
(This article belongs to the Section Photocatalysis)
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19 pages, 5556 KB  
Article
N-Doping of Biochar and Support Strategies to Enhance the Catalytic Activity of CuFe2O4 for Persulfate-Promoted Methylene Blue Degradation
by Xinhui Wei, Quanlong Huang, Long Wen, Kaiyun Luo, Qianhui Zhang, Xiaoyue Xie and Congjin Chen
Chemistry 2026, 8(9), 125; https://doi.org/10.3390/chemistry8090125 - 9 Sep 2026
Viewed by 152
Abstract
The copper ferrite/nitrogen-doped biochar (CuFe2O4/Nx-BC) was synthesized by a one-step sol–gel pyrolysis method, and its efficiency in activating PS to degrade MB was evaluated. The influences of preparation conditions, degradation conditions, and common anions on the degradation [...] Read more.
The copper ferrite/nitrogen-doped biochar (CuFe2O4/Nx-BC) was synthesized by a one-step sol–gel pyrolysis method, and its efficiency in activating PS to degrade MB was evaluated. The influences of preparation conditions, degradation conditions, and common anions on the degradation efficiency of MB were investigated, and the mechanism of CuFe2O4/N0.5-BC activating PS was inferred. The results showed the saturation magnetization of CuFe2O4/N0.5-BC was 25.53 emu/g. Under the optimal degradation conditions, compared to PS alone, the degradation efficiency of MB in the CuFe2O4/N0.5-BC + PS system increased from 26.2% to 94.1%, the reaction rate constant in the CuFe2O4/N0.5-BC + PS system (0.02954 min−1) was 9.12 times higher than that in the PS alone system (0.00324 min−1); Compared to the CuFe2O4/BC system, the degradation efficiency of MB in the CuFe2O4/N0.5-BC + PS system increased from 34% to 94.1%, while the reaction rate constant is 1.1 times that in the CuFe2O4/BC + PS system. After CuFe2O4/N0.5-BC underwent five cycles of application, the degradation efficiency of MB in the CuFe2O4/N0.5-BC + PS still reached 87.5%. SO4•− plays a major role, •OH played a certain role and O2•− was also responsible for the degradation of MB in the CuFe2O4/N0.5-BC + PS system. CuFe2O4/N0.5-BC is a green and effective catalyst for the PS-AOP method to treat MB-contaminated water. Full article
(This article belongs to the Section Catalysis)
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25 pages, 12731 KB  
Article
Tri-Metallic NiCoFe-Layered Double Hydroxide as a Multifunctional Electrocatalyst for Emerging Contaminant Removal from Industrial Wastewater
by Habib Ullah, Sajida Perveen, Samia Qadeer, Amare Aregahegn Dubale, Nasser S. S. Ben-Qasem, Abdulaziz Alamri, Salman Alrokayan, Mostafa A. Abdel-Maksoud and Muzammil Anjum
Catalysts 2026, 16(9), 813; https://doi.org/10.3390/catal16090813 - 8 Sep 2026
Viewed by 216
Abstract
Industrial wastewater in Islamabad has led to serious environmental and human health impacts due to the release of endocrine-disrupting chemicals (EDCs) and volatile organic compounds (VOCs) in the water bodies. The advent of wastewater treatment technologies has led to the development of novel [...] Read more.
Industrial wastewater in Islamabad has led to serious environmental and human health impacts due to the release of endocrine-disrupting chemicals (EDCs) and volatile organic compounds (VOCs) in the water bodies. The advent of wastewater treatment technologies has led to the development of novel approaches like the use of an electrocatalyst for efficient and safe removal of toxic contaminants from the wastewater. In this study, an efficient tri-metallic NiCoFe2-LDH electrocatalyst was prepared by optimizing the metal ratios in the synthesis process using a co-precipitation method. The catalyst was characterized by various tools such as UV-visible spectroscopy, SEM, EDX, and FTIR. A three-electrode electrochemical system (counter, reference, and working electrodes) was used for electrocatalytic activity and simultaneous removal of EDCs from the wastewater. Wastewater samples were collected from selected locations along the industrial discharge channel (Nullah Lai) in the industrial zone of Islamabad city. The physio-chemical analysis showed significant water pollution, including EDCs, VOC, and heavy metals. The electrochemical treatment using NiCoFe2-LDH demonstrated high efficiency across different scan rates (5 to 50 mV/s) and voltages (−0.02 to 1.6 V); for instance, at 1.6 V, the current density rises from 10 mA/cm2 in Scan 5 to 50 mA/cm2 in Scan 50. Furthermore, COD levels were significantly reduced by 74.9%, from 665.6 mg/L to 166.4 mg/L, after electrochemical treatment with NiCoFe2-LDH. GCMS analysis of organics revealed that the electrochemical process was effective in reducing several EDC- and VOC-related peak groups. Overall, this study highlights the potential of the electrochemical approach for treating EDC-contaminated wastewater and its applicability as a sustainable solution for industrial wastewater treatment. Full article
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25 pages, 3615 KB  
Article
CO2 Adsorption and Methanation over Ni/ZSM-5 Catalysts: Mechanistic Insights from FTIR Spectroscopy
by Nikola Drenchev, Dimitar Panayotov, Grigoria Theochari, Margarita Popova and Konstantin Hadjiivanov
Catalysts 2026, 16(9), 808; https://doi.org/10.3390/catal16090808 - 7 Sep 2026
Viewed by 229
Abstract
The development of materials capable of combining efficient CO2 capture with catalytic conversion is an important objective in carbon utilization strategies. In this work, a series of Ni/ZSM-5 catalysts prepared by different methods and characterized by different nickel loadings and speciation was [...] Read more.
The development of materials capable of combining efficient CO2 capture with catalytic conversion is an important objective in carbon utilization strategies. In this work, a series of Ni/ZSM-5 catalysts prepared by different methods and characterized by different nickel loadings and speciation was investigated by FTIR spectroscopy, complemented by structural characterization and catalytic CO2 hydrogenation measurements, to establish the CO2 coordination mode and the relationship between nickel speciation, molecular CO2 adsorption, and catalytic performance. FTIR spectroscopy demonstrates that molecular CO2 is preferentially adsorbed on Ni2+ cations. Detailed investigation of the low-loaded catalyst, in which nickel is predominantly present as highly dispersed, mainly exchanged Ni2+ cations, shows that adsorption initially proceeds through end-on Ni2+–CO2 species, which progressively transform into geminal Ni2+(CO2)2 complexes with increasing coverage. The adsorption geometry was established by applying the isotopic linkage isomerism (ILI) approach using 13C16O213C18O2 isotopic mixtures. In contrast, CO2 adsorption on Ni+ sites formed upon reduction with CO is negligible, whereas these sites strongly bind CO, a key intermediate in CO2 hydrogenation. FTIR experiments performed under CO2/H2 mixtures reveal the formation of surface formate species at low temperatures, followed by the appearance of adsorbed and subsequently gaseous CO. For the catalysts containing larger amounts of nickel, in which less electrophilic and more readily reducible Ni species are additionally present, methane was also detected in the gas phase, and the onset of the reaction processes shifted to lower temperatures. The FTIR observations closely parallel the catalytic behaviour. Overall, the results demonstrate that isolated Ni2+ cations provide effective sites for molecular CO2 adsorption, whereas its subsequent catalytic hydrogenation requires more readily reducible nickel species capable of generating metallic sites under reaction conditions. Full article
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24 pages, 21813 KB  
Article
Mn-Modified MIL-100(Fe)-Derived FeOx to Boost Toluene Photothermal Catalytic Degradation
by Fukun Bi, Rong Qiao, Jiahao Xu, Yuzhe Lu, Jiafeng Wei, Yaofei Zhang and Xiaodong Zhang
Catalysts 2026, 16(9), 807; https://doi.org/10.3390/catal16090807 - 7 Sep 2026
Viewed by 207
Abstract
The development of highly efficient catalysts is important for the photothermal catalytic oxidation of volatile organic compounds (VOCs). Herein, MIL-100(Fe) was used as the sacrificial template to prepare MnFeOx catalysts with different Mn contents through the impregnation–calcination method, and their performance in [...] Read more.
The development of highly efficient catalysts is important for the photothermal catalytic oxidation of volatile organic compounds (VOCs). Herein, MIL-100(Fe) was used as the sacrificial template to prepare MnFeOx catalysts with different Mn contents through the impregnation–calcination method, and their performance in photothermal catalytic oxidation of toluene was investigated. The results show that the content of Mn significantly affects the crystal phase structure, pore properties, surface chemical state, and optical response of the catalyst. Among them, 30%MnFeOx exhibits the best photothermal catalytic activity, with T50 and T90 being 211 and 237 °C, respectively, which are significantly lower than those of FeOx (232 and 260 °C). Characterization results suggested that the introduction of Mn caused the bandgap of FeOx to decrease from 1.96 to 1.67 eV. Meanwhile, the surface Fe2+, adsorbed oxygen (Oads) species, and oxygen vacancies were increased, enhancing visible light absorption and gaseous oxygen species adsorption and activation, which promoted the photothermal catalytic oxidation of toluene. Additionally, the 30%MnFeOx catalyst presented good thermal stability and water resistance. Furthermore, during the reaction process, the in situ activation of the catalyst’s surface induced the increase in surface Fe2+, Mn3+, and Oads species, which enhances the photothermal catalytic activity of the catalyst. Importantly, the in situ DRIFTS results further indicate that toluene is mainly oxidized along the path of toluene → benzyl alcohol → benzoate → maleic anhydride → CO2 and H2O. This work provides a theoretical basis for the construction of low-cost, non-precious-metal Mn–Fe-based photothermal catalysts. Full article
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20 pages, 7988 KB  
Article
Synthesis-Route Engineering of Cu–Sm–Ti Oxides for Coupled Low-Temperature NH3-SCR and CO Oxidation
by Yifei Wang, Ruoxin Li, Bin Jia, Jun Liu and Guojie Zhang
Catalysts 2026, 16(9), 806; https://doi.org/10.3390/catal16090806 - 6 Sep 2026
Viewed by 193
Abstract
Low-temperature sintering flue gas contains both nitrogen oxides (NOx) and carbon monoxide (CO), requiring bifunctional catalysts for concurrent pollutant abatement. Herein, CuSmTi composite oxides with an identical nominal composition were synthesized via impregnation, mechanical grinding, and sol–gel methods to examine the [...] Read more.
Low-temperature sintering flue gas contains both nitrogen oxides (NOx) and carbon monoxide (CO), requiring bifunctional catalysts for concurrent pollutant abatement. Herein, CuSmTi composite oxides with an identical nominal composition were synthesized via impregnation, mechanical grinding, and sol–gel methods to examine the effects of preparation route on their structure, surface properties, and catalytic performance in coupled NH3-SCR and CO oxidation. CuSmTi-SG exhibited the best performance, achieving >40% NOx conversion at 125 °C, complete NOx and CO conversion at 200 °C, and nearly 100% N2 selectivity over 100–300 °C, with stable performance over 24 h. It possessed a higher surface area (131.4 m2 g−1), pore volume (0.230 cm3 g−1), and smaller TiO2 crystallite size (8.5 nm) than the other catalysts. Spectroscopic analyses showed that sol–gel synthesis altered the surface electronic states of Cu and Sm species, resulting in a higher Cu+ fraction and greater amounts of medium-to-strong Lewis acid sites and labile surface oxygen species. In situ DRIFTS indicated that CO oxidation proceeded predominantly via a Mars–van Krevelen mechanism over Cu+ sites, whereas NH3-SCR mainly followed an Eley–Rideal pathway. CO and NH3 preferentially interacted with different surface sites, resulting in limited mutual inhibition. These results demonstrate that the preparation route can modify the structure and surface chemistry of CuSmTi catalysts without changing their nominal composition, thereby affecting their performance in low-temperature NOx and CO abatement. Full article
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13 pages, 2233 KB  
Article
Effect of Ni/Co Molar Ratio on the CO Oxidation Activity of NixCo3−xO4 Catalysts
by Xia Wang, Yufan Wang, Hongliang Liu, Xiaofeng Yuan, Xiangang Cui and Jiefeng Wang
Coatings 2026, 16(9), 1048; https://doi.org/10.3390/coatings16091048 - 3 Sep 2026
Viewed by 277
Abstract
A series of NixCo3−xO4 (x = 0.75, 1, 1.5, 2, 2.25) catalysts with different Ni/Co molar ratios was fabricated via the co-precipitation method. The catalytic performance for CO oxidation and SO2 resistance of the prepared catalysts was [...] Read more.
A series of NixCo3−xO4 (x = 0.75, 1, 1.5, 2, 2.25) catalysts with different Ni/Co molar ratios was fabricated via the co-precipitation method. The catalytic performance for CO oxidation and SO2 resistance of the prepared catalysts was systematically investigated, and their physicochemical properties were characterized by XRD, SEM, BET, H2-TPR, CO-TPD and in situ DRIFTS. The experimental results reveal that the Ni2.25Co0.75O4 catalyst exhibits the optimal CO oxidation activity, achieving a CO conversion of 93.25% at 120 °C. The superior catalytic performance can be attributed to its large specific surface area, low reduction temperature, and easily activated lattice oxygen species. When exposed to SO2 at a concentration 10 times the industrial emission limit, all catalysts exhibited varying degrees of activity loss. Among them, NiCo2O4 exhibited the slowest deactivation rate and showed the greatest recovery in CO conversion after SO2 was cut off, suggesting relatively better sulfur tolerance and recoverability among the investigated catalysts. In conclusion, tuning the Ni/Co molar ratio can effectively optimize the low-temperature CO oxidation activity and sulfur resistance of Ni-Co composite oxides. This work provides a useful reference for the structural composition design and practical application of such catalysts in flue gas purification. Full article
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34 pages, 8738 KB  
Article
Biochar-Supported Lanthanide Oxides as Photocatalysts for UV-Assisted Catalytic Wet Peroxide Oxidation of Pharmaceuticals at Circumneutral pH
by Virginia Muelas-Ramos, Alicia L. Garcia-Costa, Javier Martín-Bueno, Christian De los Rios, Antonio Gascó and Daphne Hermosilla
Catalysts 2026, 16(9), 797; https://doi.org/10.3390/catal16090797 - 3 Sep 2026
Viewed by 269
Abstract
Biochar-supported rare earth oxides are herein assessed as heterogeneous catalysts for the UV-assisted Catalytic Wet Peroxide Oxidation (UV-CWPO) treatment of pharmaceuticals under mild conditions. Catalysts were synthesized by two different pyrolysis methods (activated carbon-assisted oxygen-limited pyrolysis in a muffle furnace, and inert-gas pyrolysis [...] Read more.
Biochar-supported rare earth oxides are herein assessed as heterogeneous catalysts for the UV-assisted Catalytic Wet Peroxide Oxidation (UV-CWPO) treatment of pharmaceuticals under mild conditions. Catalysts were synthesized by two different pyrolysis methods (activated carbon-assisted oxygen-limited pyrolysis in a muffle furnace, and inert-gas pyrolysis in a tubular furnace under nitrogen flow), and characterized by XRD, SEM, and N2 adsorption–desorption isotherms. Their performance in assisting 385 nm UVA-LED CWPO treatment of acetaminophen (ACE), diclofenac (DCF), and metamizole (MTZ) was assessed under circumneutral pH conditions. The biochar-supported cerium-loaded catalyst prepared by oxygen-limited pyrolysis reported the highest activity, achieving 80% ACE and 70% DCF removals within 120 min of treatment, whereas MTZ was completely removed in less than 10 min, with only 16% of the removal attributable to adsorption. Superoxide radicals dominated the degradation mechanism, and photogenerated holes and hydroxyl radicals contributed moderately. Catalyst stability (minimal activity loss and negligible cerium leaching) was confirmed over five consecutive reuses. Degradation efficiency decreased ≈12–18% because of radical scavenging losses caused by the content of inorganic ions and organic matter in tap, river, and WWTP effluent waters. Treated effluents addressed lower toxicity than untreated solutions, reinforcing the environmental safety of this treatment strategy. Full article
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51 pages, 27669 KB  
Review
Recent Advances in Metal Oxide-Coated Anodes for Industrial Electrochemical Applications: Emphasis on RuO2-and IrO2-Based Systems, Failure Mechanisms, and Coating Technologies
by Guan-Ting Pan, Allan Kwang Loon Ang and Aleksandar N. Nikoloski
Inorganics 2026, 14(9), 225; https://doi.org/10.3390/inorganics14090225 - 24 Aug 2026
Viewed by 419
Abstract
Anode materials play a pivotal role in a wide range of electrochemical applications, including electrolysis, energy storage, corrosion protection, and industrial oxidation processes. This review provides a comprehensive analysis of recent advances in anode materials, with particular emphasis on their structural characteristics and [...] Read more.
Anode materials play a pivotal role in a wide range of electrochemical applications, including electrolysis, energy storage, corrosion protection, and industrial oxidation processes. This review provides a comprehensive analysis of recent advances in anode materials, with particular emphasis on their structural characteristics and major preparation methods, including thermal decomposition, electrochemical deposition, sol–gel processing, and magnetron sputtering. The degradation behaviour of anodes under electrochemical operating conditions is also critically discussed, together with strategies for improving their durability and overall performance. Particular attention is given to metal oxide-coated anodes, especially those based on ruthenium oxide (RuO2) and iridium oxide (IrO2), which remain the most representative systems in dimensionally stable anode (DSA) research and industrial applications. Emerging coating materials, including Co3O4- and carbon-based catalysts, are also reviewed as promising alternatives for reducing noble metal usage while maintaining acceptable electrochemical performance. In addition, the role of intermediate layers in titanium-based anodes is examined, with emphasis on their contribution to coating adhesion, conductivity, interfacial stability, and long-term electrode performance. This review further discusses the applications of anode materials in chlorine- and oxygen-related electrochemical industries and evaluates the performance of DSAs in relation to substrate selection, coating composition, and operational requirements. Alternative furnace technologies for anode baking are also reviewed, including conventional furnace heating, laser heating, and microwave heating, together with representative industrial furnace systems such as muffle, continuous, and vacuum furnaces. Overall, this review provides an integrated overview of the current progress in anode material research and development, while highlighting the key challenges and future directions for improving anode efficiency, durability, and sustainability in industrial electrochemical applications. Full article
(This article belongs to the Section Inorganic Materials)
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28 pages, 14338 KB  
Article
Tailoring the Structure and Surface Chemistry of High-Loading Ni-Metakaolin Catalysts Prepared by Melt Infiltration for CO2 Methanation
by Agnieszka Szymaszek-Wawryca, Michał Szymaszek, Robert Kosydar, Dorota Duraczyńska and Monika Motak
Molecules 2026, 31(16), 2847; https://doi.org/10.3390/molecules31162847 - 14 Aug 2026
Viewed by 306
Abstract
CO2 methanation is a promising power-to-gas technology that enables the conversion of carbon dioxide into methane. However, the development of efficient catalysts based on naturally abundant and inexpensive support remains an important challenge. In this work, metakaolin from natural kaolin was investigated [...] Read more.
CO2 methanation is a promising power-to-gas technology that enables the conversion of carbon dioxide into methane. However, the development of efficient catalysts based on naturally abundant and inexpensive support remains an important challenge. In this work, metakaolin from natural kaolin was investigated as a novel support for high-loading (30 wt.%) Ni catalysts prepared using a melt infiltration method. The influence of CeO2 and alkaline earth metal oxides (MgO, CaO) on the physicochemical properties and catalytic performance was systematically evaluated. It was evidenced that CeO2 improved NiO reducibility, whereas MgO and CaO promoted Ni0 dispersion and modified textural and surface properties. In particular, Mg addition increased the SBET from 23 to 39 m2/g and the total pore volume from 0.06 to 0.17 cm3/g compared with the Ni-MK sample. The promoted catalysts exhibited enhanced low-temperature activity and reached approximately 80% CO2 conversion at 400 °C, close to thermodynamic equilibrium, maintaining CH4 selectivity above 97%. Stable catalytic performance was preserved during 24 h time-on-stream tests. The results demonstrate that metakaolin is a promising sustainable support for Ni CO2 methanation catalysts and that melt infiltration provides a simple and effective preparation route for obtaining high nickel loading. Full article
(This article belongs to the Special Issue Innovative Chemical Pathways for CO2 Conversion)
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18 pages, 15044 KB  
Article
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
Viewed by 399
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 gcat1 h−1, CO2 conversion of 12.44%, and methanol selectivity of 59.36% at 240 °C, 3 MPa, and GHSV = 12,000 mL gcat1 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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12 pages, 1918 KB  
Article
Method for Controlling the Exposure of (312) Crystal Plane in Ni12P5 Nanoparticles and Its Impact on the Catalytic Dechlorination Activity of Trichloroethylene
by Guojun Yuan, Yajun Gao, Hongfang Li, Lei Cheng, Wenjuan Sun and Haolu Sun
Crystals 2026, 16(8), 531; https://doi.org/10.3390/cryst16080531 - 14 Aug 2026
Viewed by 269
Abstract
Transition metal phosphides (TMPs) have gained significant attention from researchers in the field of catalytic hydrogenation due to their excellent properties. However, existing studies have rarely explored the targeted regulation of the degree of crystal plane exposure of the Ni12P5 [...] Read more.
Transition metal phosphides (TMPs) have gained significant attention from researchers in the field of catalytic hydrogenation due to their excellent properties. However, existing studies have rarely explored the targeted regulation of the degree of crystal plane exposure of the Ni12P5 catalyst. It is difficult to significantly enhance the performance of this catalyst in the hydrogenation dechlorination (HDC) reaction of trichloroethylene by this strategy. This study proposes a regulatory approach: changing the ratio of ethylene glycol to water to precisely control the exposure ratio of the high-index (312) crystal plane of the Ni12P5 catalyst. Combined with the performance tests of trichloroethylene hydrogenation dechlorination at different reaction temperatures, the intrinsic relationship between the step atoms generated during the formation of the (312) crystal plane and the active sites of the catalyst was clarified. The study also utilized multiple characterization methods such as transmission electron microscopy (TEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and scanning electron microscopy (SEM) to conduct a comprehensive property analysis of the prepared catalytic materials. Full article
(This article belongs to the Section Inorganic Crystalline Materials)
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18 pages, 14500 KB  
Article
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
Viewed by 304
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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14 pages, 2388 KB  
Article
In-Situ Growth of Bimetallic ZnCo-ZIF-67 on Carbon Fibers as High-Efficiency Catalyst for Enhancing Thermal Decomposition of Ammonium Perchlorate
by Junyu Li, Zhican Lu, Qihui Zeng, Fang Wang, Bo Yuan, Zeyu Zheng, Xiaolin Tang, Yifu Zhang and Chi Huang
Molecules 2026, 31(16), 2767; https://doi.org/10.3390/molecules31162767 - 9 Aug 2026
Viewed by 339
Abstract
Due to its abundant active sites, the bimetallic zeolite imidazole framework ZnCo-ZIF-67 exhibits excellent catalytic performance on the key oxidant ammonium perchlorate in composite solid propellants. In addition, carbon fiber has been proven to promote the combustion of propellants due to its high [...] Read more.
Due to its abundant active sites, the bimetallic zeolite imidazole framework ZnCo-ZIF-67 exhibits excellent catalytic performance on the key oxidant ammonium perchlorate in composite solid propellants. In addition, carbon fiber has been proven to promote the combustion of propellants due to its high thermal conductivity efficiency. In order to integrate the advantages of both, this study designed and prepared a novel composite catalyst, ZnCo-ZIF-67/CF, by a co-precipitation method. The thermal decomposition test demonstrated that the ZnCo-ZIF-67/CF composite exhibited significant catalytic activity. When the addition amount was 5 wt%, the high-temperature decomposition peak temperature of AP decreased significantly from 424.3 °C to 337.2 °C, and the combustion process was also significantly accelerated. Furthermore, analysis of the products of thermal decomposition gases revealed a significant increase in the proportion of N2O in the catalyzed products to 55.7%, whilst the proportion of high oxidation state nitrogen-containing oxides such as NO2 and NOCl decreased. This finding suggests that the highly dispersed metal active sites in ZnCo-ZIF-67/CF synergistically promote the decomposition reaction pathway of AP, leading to enhanced N2O generation. This study proposes a novel approach for the development of efficient and stable AP decomposition catalysts, which has positive significance for the regulation of the combustion performance of propellants. Full article
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