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Catalysis on Stable Molecules (CO2, CO, CH4...
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Catalysis on Stable Molecules (CO2, CO, CH4, N2, NH3) Activation and Their Transformation, 3rd Edition

A special issue of Catalysts (ISSN 2073-4344). This special issue belongs to the section "Environmental Catalysis".

Deadline for manuscript submissions: closed (15 September 2025) | Viewed by 8427

Special Issue Editor

Prof. Dr. Eun Duck Park

E-Mail Website
Guest Editor
1. Department of Chemical Engineering, Ajou University, Suwon 16499, Republic of Korea
2. Department of Energy Systems Research, Ajou University, Suwon 16499, Republic of Korea
Interests: catalysis; green chemistry; C1 chemistry; hydrogen production; biomass conversion; sustainable chemical processes
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

This issue is a continuation of the previous successful Special Issues “Catalysis on Stable Molecules (CO2, CO, CH4, N2, NH3) Activation and Their Transformation” and “Catalysis on Stable Molecules (CO2, CO, CH4, N2, NH3) Activation and Their Transformation, 2nd Edition”.

C1 gases, including CO, CO2, and CH4, can serve as starting materials for the synthesis of value-added chemicals via several catalytic pathways. In particular, CO2 and CH4 are greenhouse gases, and their conversion to valuable chemicals is of great importance. However, due to the stable chemical nature of these compounds, there is an urgent need for catalytic research on their efficient chemical conversion. In addition, N2 is also a very stable compound and has received much attention within green ammonia synthesis through reaction with green hydrogen. Hydrogen production through catalytic decomposition of NH3 is also expected to contribute significantly to realization of the hydrogen economy. In addition, various chemical reactions involving NH3 are also important for fine chemicals. In this Special Issue of Catalysis, we present recent advances in the activation and catalytic conversion of these stable molecules. The scope of this Special Issue of Catalysis covers all aspects of catalytic research on these stable molecules, from theoretical calculations to catalyst screening for homogeneous and/or heterogeneous catalysts. It also includes not only traditional thermal catalysis, but also electrochemical catalysis, photocatalysis, and photoelectrochemical catalysis.

Prof. Dr. Eun Duck Park
Guest Editor

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Keywords

  • CO2 activation
  • CO2 conversion
  • CO2 hydrogenation
  • dry reforming of methane
  • methane activation
  • methane conversion
  • amination
  • ammonia decomposition
  • N2 activation
  • ammonia synthesis
  • carbonylation
  • hydroformylation
  • CO hydrogenation

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Published Papers (6 papers)

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18 pages, 999 KB  
Article
Direct Liquid Phase Hydroxylation of Benzene to Phenol over Iron-Containing Mordenite Catalysts: Combined DLS–EPR Study and Thermodynamic–Stability Analysis
by E. H. Ismailov, L. Kh. Qasimova, S. N. Osmanova, A. I. Rustamova, L. V. Huseynova, S. A. Mammadkhanova and Sh. F. Tagiyeva
Catalysts 2026, 16(1), 89; https://doi.org/10.3390/catal16010089 - 13 Jan 2026
Viewed by 941
Abstract
Direct hydroxylation of benzene to phenol using hydrogen peroxide is a cornerstone of sustainable green chemistry. This paper presents the results of a stability study of an iron-containing mordenite catalyst in the liquid-phase hydroxylation of benzene to phenol with a 30% aqueous hydrogen [...] Read more.
Direct hydroxylation of benzene to phenol using hydrogen peroxide is a cornerstone of sustainable green chemistry. This paper presents the results of a stability study of an iron-containing mordenite catalyst in the liquid-phase hydroxylation of benzene to phenol with a 30% aqueous hydrogen peroxide solution. The study utilizes a combination of catalytic activity measurements, dynamic light scattering (DLS), and electron paramagnetic resonance (EPR) spectra. The system is initially shown to exhibit high phenol selectivity; however, over time, DLS measurements indicate aggregation of the catalyst particles with an increase in the average particle diameter from 1.8 to 2.6 μm and the formation of byproducts–dihydroxybenzenes. Iron is present predominantly as magnetite nanoparticles (Fe3O4) ~10 nm in diameter, stabilized on the outer surface of mordenite, with minor leaching (<10%) due to the formation of iron ion complexes with ascorbic acid as a result of the latter’s interaction with magnetite particles. Using a thermodynamic approach based on the Ulich formalism (first and second approximations), it is shown that the reaction of benzene hydroxylation H2O2 in the liquid phase is thermodynamically quite favorable (ΔG° = −(289–292) kJ·mol−1 in the range of 293–343 K, K = 1044–1052). It is shown that ascorbic acid acts as a redox mediator (reducing Fe3+ to Fe2+) and a regulator of the catalytic medium activity. The stability of the catalytic system is examined in terms of the Lyapunov criterion: it is shown that the total Gibbs free energy (including the surface contribution) can be considered as a Lyapunov functional describing the evolution of the system toward a steady state. Ultrasonic (US) treatment of the catalytic system is shown to redisperse aggregated particles and restore its activity. It is established that the catalytic activity is due to nanosized Fe3O4 particles, which react with H2O2 to form hydroxyl radicals responsible for the selective hydroxylation of benzene to phenol. Full article
(This article belongs to the Special Issue Catalysis on Stable Molecules (CO2, CO, CH4, N2, NH3) Activation and Their Transformation, 3rd Edition)
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15 pages, 4422 KB  
Article
Ni-Based Catalysts Coupled with SERP for Efficient Power-to-X Conversion
by Marina Pedrola, Roger Miró, Isabel Vicente and Aitor Gual
Catalysts 2025, 15(11), 1082; https://doi.org/10.3390/catal15111082 - 15 Nov 2025
Cited by 2 | Viewed by 962
Abstract
The industrial application of CO2 methanation in Power-to-X (P2X) systems requires the development of highly active catalysts capable of operating at milder temperatures to ensure energy efficiency, while exhibiting high activity, stability and selectivity. This study reports the synthesis and optimization of [...] Read more.
The industrial application of CO2 methanation in Power-to-X (P2X) systems requires the development of highly active catalysts capable of operating at milder temperatures to ensure energy efficiency, while exhibiting high activity, stability and selectivity. This study reports the synthesis and optimization of Ni-based catalysts on Al2O3 supports, guided by a Design of Experiments (DoE, 24 factorial design) approach. Initial optimization afforded a robust catalyst achieving 80% CO2 conversion and >99% CH4 selectivity at 325 °C. Remarkably, the incorporation of CeO2 traces to the Ni-based catalyst substantially boosted catalytic activity, enabling higher conversions at temperatures up to 75 °C lower than the unpromoted catalyst. This improvement is attributed to Ni–CeOx synergy, which facilitates CO2 activation and Ni reducibility. Both formulations exhibited exceptional long-term stability over 100 h. Furthermore, process intensification via the Sorption-Enhanced Reaction Process (SERP) with the Ni-based catalyst demonstrated even superior efficiency, rapidly increasing CO2 conversion beyond 95% with the same selectivity range. Our findings establish a clear and consistent pathway for industrial CO2 valorization through next-generation P2X technology for high-purity synthetic natural gas (SNG) production. This process offers an efficient and sustainable route toward industrial defossilization by converting captured CO2 and green H2 into SNG that is readily usable within the existing energy infrastructure. Full article
(This article belongs to the Special Issue Catalysis on Stable Molecules (CO2, CO, CH4, N2, NH3) Activation and Their Transformation, 3rd Edition)
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18 pages, 7034 KB  
Article
Effect of a Grinding Method in the Preparation of CuO-ZnO-Al2O3@HZSM-5 Catalyst for CO2 Hydrogenation
by He Jia, Tao Du, Yingnan Li, Peng Chen, Rui Xiang, Zhaoyi Sun, Bowen Yang and Yisong Wang
Catalysts 2025, 15(11), 1068; https://doi.org/10.3390/catal15111068 - 10 Nov 2025
Viewed by 1036
Abstract
There are many obstacles to the industrial application of CO2 hydrogenation reduction technology, the most important of which is the high economic cost. The purpose of this study is to explore the interaction mechanism between the active component CuO-ZnO-Al2O3 [...] Read more.
There are many obstacles to the industrial application of CO2 hydrogenation reduction technology, the most important of which is the high economic cost. The purpose of this study is to explore the interaction mechanism between the active component CuO-ZnO-Al2O3(CZA) and the zeolite carrier Zeolite Socony Mobil-5(ZSM-5), screen the simplified preparation method of catalysts with high catalytic performance, and further promote the industrial application of CO2 hydrogenation reduction technology. In this study, the effects of the gas velocity of the feedstock, the reaction temperature, the content of acidic sites in the carrier, the filling amount of active component, and the mixing mode of the active component and the carrier on catalytic CO2 hydrogenation reduction were investigated. The structure of the catalysts was analyzed by X-ray diffractometer (XRD), Brunauer-Emmett-Teller (BET), Fourier-transform infrared spectroscopy (FTIR), scanning electron microscope (SEM) and transmission electron microscopy (TEM). The catalyst surface properties were analyzed by X-ray photoelectron spectroscopy (XPS), ammonia temperature programmed desorption (NH3-TPD), hydrogen temperature programed reduction (H2-TPR) and other characterization methods. The research found that the grinding treatment led to the insertion of CZA between ZSM-5 zeolite particles in CZA@HZ5-20-GB, which was prepared via grinding both CZA and H-ZSM-5 with an Si/Al ratio of 20, inhibiting the action of strongly acidic sites in the zeolite, resulting in only CO and MeOH in the catalytic products, with no Dimethyl Ether (DME) generation. Full article
(This article belongs to the Special Issue Catalysis on Stable Molecules (CO2, CO, CH4, N2, NH3) Activation and Their Transformation, 3rd Edition)
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13 pages, 1060 KB  
Article
Reaction Mechanisms of Aqueous Methane Reforming by Continuous Flow Two-Phase Plasma Discharge
by Ekow Agyekum-Oduro, Md. Mokter Hossain, Ahmad Mukhtar and Sarah Wu
Catalysts 2025, 15(10), 980; https://doi.org/10.3390/catal15100980 - 14 Oct 2025
Viewed by 1165
Abstract
This study explores nonthermal plasma reactions of methane and water in a two-phase system to produce methanol, examining reaction pathways, kinetics, and product distribution over time. The results show that methanol is the dominant liquid phase product among other oxygenates, including ethanol and [...] Read more.
This study explores nonthermal plasma reactions of methane and water in a two-phase system to produce methanol, examining reaction pathways, kinetics, and product distribution over time. The results show that methanol is the dominant liquid phase product among other oxygenates, including ethanol and acetic acid, with hydrogen as the largest fraction among gas-phase products comprising carbon monoxide, carbon dioxide, ethylene, and acetylene. Conductivity and pH trends of reactant water and their influence on reaction products were also analyzed. Methanol was found to be formed principally from the reactive coupling of methyl and hydroxyl radicals, as well as from methoxy and hydrogen radical combinations. Hydrogen was produced from three pathways: stepwise dehydrogenation of methane through electron-mediated hydrogen abstraction, sequential hydrogenation of ethane to acetylene, and water splitting. The methanol-yielding reactions proceeded at different rates in the liquid and gas phases, with gas-phase reactions occurring approximately nine times faster than the liquid-phase reactions. This work provides valuable insights into reaction pathways for direct methane conversion to oxygenates and value-added gas products under mild conditions using water as an environmentally friendly oxidant. Full article
(This article belongs to the Special Issue Catalysis on Stable Molecules (CO2, CO, CH4, N2, NH3) Activation and Their Transformation, 3rd Edition)
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19 pages, 11323 KB  
Article
Hydrogen Production via Dry Reforming of Methane Using a Strontium Promoter over MgO-Supported Ni Catalyst: A Cost-Effective Catalyst System
by Abdulaziz S. Bentalib, Amal BaQais, Fekri Abdulraqeb Ahmed Ali, Kirankumar Jivabhai Chaudhary, Abdulaziz A. M. Abahussain, Abdulrahman Bin Jumah, Mohammed O. Bayazed, Alaaddin M. M. Saeed, Rawesh Kumar and Ahmed S. Al-Fatesh
Catalysts 2025, 15(9), 853; https://doi.org/10.3390/catal15090853 - 4 Sep 2025
Cited by 1 | Viewed by 1651
Abstract
In the race for industrialization and urbanization, the concentration of greenhouse gases like CO2 and CH4 is growing rapidly and ultimately resulting in global warming. An Ni-based catalyst over MgO support (Ni/MgO) offers a catalytic method for the conversion of these [...] Read more.
In the race for industrialization and urbanization, the concentration of greenhouse gases like CO2 and CH4 is growing rapidly and ultimately resulting in global warming. An Ni-based catalyst over MgO support (Ni/MgO) offers a catalytic method for the conversion of these gases into hydrogen and carbon monoxide through the dry reforming of methane (DRM) reaction. In the current research work, 1–4 wt% strontium is investigated as a cheap promoter over a 5Ni/MgO catalyst to modify the reducibility and basicity for the goal of excelling the H2 yield and H2/CO ratio through the DRM reaction. The fine catalytic activities’ correlations with characterization results (like X-ray diffraction, surface area porosity, photoelectron–Raman–infrared spectroscopy, and temperature-programmed reduction/desorption (TPR/TPD)) are established. The 5Ni/MgO catalyst with a 3 wt.% Sr loading attained the highest concentration of stable active sites and the maximum population of very strong basic sites. 5Ni3Sr/MgO surpassed 53% H2 yield (H2/CO ~0.8) at 700 °C and 85% H2 yield (H2/CO ratio ~0.9) at 800 °C. These outcomes demonstrate the catalyst’s effectiveness and affordability. Higher Sr loading (>3 wt%) resulted in a weaker metal–support contact, the production of free NiO, and a lower level of catalytic activity for the DRM reaction. The practical and cheap 5Ni3Sr/MgO catalyst is scalable in industries to achieve hydrogen energy goals while mitigating greenhouse gas concentrations. Full article
(This article belongs to the Special Issue Catalysis on Stable Molecules (CO2, CO, CH4, N2, NH3) Activation and Their Transformation, 3rd Edition)
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13 pages, 3406 KB  
Article
Coral Reef-like CdS/g-C3N5 Heterojunction with Enhanced CO2 Adsorption for Efficient Photocatalytic CO2 Reduction
by Fuhai Zhang, Jing Xiong, Xiaoxiao Yu, Lei Wang, Tongyu Wu, Zhendong Yu, Minmeng Tang, Haiyan Liu, Yanhong Chao and Wenshuai Zhu
Catalysts 2025, 15(1), 94; https://doi.org/10.3390/catal15010094 - 20 Jan 2025
Cited by 7 | Viewed by 1871
Abstract
As a promising member of the carbon nitride family, nitrogen-rich g-C3N5 has attracted significant attention because of its excellent light absorption performance. Nevertheless, its practical application in photocatalytic CO2 reduction is hindered by severe photogenerated charge recombination and limited [...] Read more.
As a promising member of the carbon nitride family, nitrogen-rich g-C3N5 has attracted significant attention because of its excellent light absorption performance. Nevertheless, its practical application in photocatalytic CO2 reduction is hindered by severe photogenerated charge recombination and limited CO2 adsorption capacity. Constructing a heterojunction has emerged as an effective strategy to mitigate charge recombination, thereby enhancing the photocatalytic performance of the catalyst. Herein, a series of CdS/g-C3N5-X heterojunction catalysts were prepared via an in situ hydrothermal approach. The obtained heterojunction catalysts exhibited a novel coral reef-like morphology which facilitated the exposure of additional active sites, thereby enhancing the adsorption and activation of CO2. Moreover, studies have shown that CdS can be anchored to the surface of g-C3N5 through C-S bonds, forming a built-in electric field at the interface, which accelerated the separation and transfer of photogenerated charges. Consequently, the resulting heterojunction materials demonstrated high efficiency in photocatalytic CO2 reduction with H2O as a sacrificial agent. In particular, CdS/g-C3N5-0.2 exhibited the maximum photocatalytic performance up to 22.9 μmol·g−1·h−1, which was 6 times and 3 times that of unmodified g-C3N5 and CdS, respectively. The results indicated that the increased active sites and enhanced charge separation of the Cd/g-C3N5-0.2 catalyst were the primary reasons for its improved photocatalytic CO2 reduction performance. This work provides a novel heterojunction-based photocatalyst for efficient CO2 photocatalytic reduction, offering insights into the preparation of high-performance photocatalysts for sustainable energy applications. Full article
(This article belongs to the Special Issue Catalysis on Stable Molecules (CO2, CO, CH4, N2, NH3) Activation and Their Transformation, 3rd Edition)
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