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Research on Heterogeneous Catalysis—2nd Edition

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A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Applied Chemistry".

Deadline for manuscript submissions: 31 December 2025 | Viewed by 10498

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Dr. Lin Huang

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Institute of Sustainability for Chemicals, Energy and Environment (ISCE2), Agency for Science, Technology and Research (A*STAR), 1 Pesek Rd, Singapore 627833, Singapore
Interests: heterogeneous catalysis
Special Issues, Collections and Topics in MDPI journals

Dr. Yinghuai Zhu

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Guest Editor

College of Pharmacy, Macau University of Science and Technology, Macau 999078, China
Interests: boron chemistry and application; catalytic and pharmaceutical applications of nano-materials
Special Issues, Collections and Topics in MDPI journals

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Dear Colleagues,

Heterogeneous catalysis encompasses a broad range of catalyzing solids and highly relevant industrial processes for the production of materials, fine chemicals, and fuels. Subjects of academic and industrial research in this field span from the atomic to the macroscopic scale, from fast bond-making/breaking processes to slow catalyst deactivation timescales. The majority of catalytic studies break down to one central theme of surface science that ultimately determines the performance of a catalyzing material—that is, catalytic active sites and their chemical nature, number, distribution, and accessibility. Nevertheless, catalyzing solids possess a 3D structure that is rarely uniform and often imposes difficulties in determining catalytic active sites and their change concerning underlying catalytic mechanisms. The complexity of catalyst particles can range from well-defined supported metal nanoparticles to millimeter-sized, multicomponent catalyst bodies with a multitude of often very distinct functionalities. Importantly, the relationship between surface structure, composition, and catalytic properties needs to be established under operating conditions. Reaction conditions in catalytic reactors vary from the gas to the liquid phase, and from low to high pressures as well as temperatures. As such, to completely understand the heterogeneous and dynamic nature of a catalyzing solid, informative single-point spectroscopic measurements should be conducted using microscopic methods. The complex multidisciplinary scope of heterogeneous catalysis requires a plethora of characterization approaches that are capable of studying various aspects of surface science.

While the research on heterogeneous catalysis is full of challenges, advances have been made in this field. This Special Issue is devoted to new developments of heterogeneous catalysis with a broad scope. We expect to collect original research articles about this topic, with the aid of Molecules as an excellent platform.

Dr. Lin Huang
Dr. Yinghuai Zhu
Guest Editors

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Keywords

heterogeneous
catalysis
catalyst
surface
reaction

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Research on Heterogeneous Catalysis in Molecules (15 articles)

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Research

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13 pages, 3593 KiB

Open AccessArticle

Influence of Metal Composition and Support Material on Carbon Yield and Quality in the Direct Decomposition of Methane

by Uidam Jun, Bon-Jun Ku, Yeji Gwon, Dong-Hyun Kim, Mansu Kim, I-Jeong Jeon, Hongjin Lee, Jae-Oh Shim and Kyubock Lee

Molecules 2025, 30(9), 1903; https://doi.org/10.3390/molecules30091903 - 24 Apr 2025

Viewed by 70

Abstract

A series of catalysts were synthesized via a combination of evaporation-induced self-assembly and spray pyrolysis; they were then applied to the direct decomposition of methane. Among them, Ni-Cu/MgO catalysts exhibited the smallest Ni particle size (~9 nm), attributed to the Cu-induced suppression of Ni crystal growth during synthesis. These catalysts achieved the highest carbon yield, primarily due to the enhanced dispersion and nanoscale size of Ni particles. The interaction between methane and the catalysts, as well as the structural and electrical properties of the resulting carbon nanotubes, such as crystallinity and conductivity, were investigated with respect to the support material (MgO vs. Al₂O₃) and metal composition (Ni vs. Ni-Cu). The findings provide valuable insights for designing advanced catalyst systems for the efficient conversion of methane into high-value carbon-based materials. Full article

(This article belongs to the Special Issue Research on Heterogeneous Catalysis—2nd Edition)

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23 pages, 4302 KiB

Open AccessArticle

Visible Light Photo-Fenton with Hybrid Activated Carbon and Metal Ferrites for Efficient Treatment of Methyl Orange (Azo Dye)

by Malak Hamieh, Nabil Tabaja, Khaled Chawraba, Zeinab Hamie, Mohammad Hammoud, Sami Tlais, Tayssir Hamieh and Joumana Toufaily

Molecules 2025, 30(8), 1770; https://doi.org/10.3390/molecules30081770 - 15 Apr 2025

Viewed by 1082

Abstract

Ensuring effective water purification is essential for addressing freshwater scarcity and achieving the United Nations Sustainable Development Goals (SDGs). An efficient hybrid mixture, composed of FeCr quantum dots doped into mesoporous silica SBA-15 support and activated carbon (AC) derived from olive mill solid wastes, has been developed for treating high optical density polluted aqueous environments. This hybrid, denoted as FeCr-SBA-15/AC, was examined for its efficacy in the adsorption and photo-Fenton degradation of met orange dye (MO), a model high-optical-density pollutant, under visible light exposure. Characterization of the prepared samples was conducted using X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), Brunauer–Emmett–Teller (BET) surface area analysis, diffuse reflectance spectroscopy (DRS), scanning electron microscopy (SEM), and transmission electron microscopy (TEM). Key parameters investigated included catalyst dosage, dye concentration, solution pH, and H₂O₂ concentration. Remarkably, the FeCr-SBA-15/AC hybrid exhibited superior photocatalytic activity, achieving a degradation efficiency of 97% for MO under optimized conditions (catalyst dosage = 0.75 g L⁻¹, dye concentration = 20 mg L⁻¹, pH = 5.47, and 0.5 mL H₂O₂) after 180 min of irradiation with visible light. This performance surpassed that of FeCr-SBA-15 alone by 20%, due to the synergistic effects of adsorption and photo-Fenton. The adsorption of MO onto AC followed the Freundlich model equilibrium isotherm, while the experimental data for the hybrid mixture aligned well with the pseudo-first-order Langmuir–Hinshelwood kinetic model with a rate constant of 0.0173 min⁻¹. The leaching of Cr in the solution was very low—0.1 ppm—which is below the detection limit. These findings underscore the potential of the synthesized FeCr-SBA-15/AC hybrid as a cost-effective, environmentally friendly, and highly efficient photo-Fenton catalyst for treating wastewater contaminated by industrial effluents. Full article

(This article belongs to the Special Issue Research on Heterogeneous Catalysis—2nd Edition)

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15 pages, 7554 KiB

Open AccessArticle

TiO₂/LaFeO₃ Composites for the Efficient Degradation of Benzoic Acid and Hydrogen Production

by Isabella Natali Sora, Benedetta Bertolotti, Renato Pelosato, Andrea Lucotti, Matteo Tommasini and Marica Muscetta

Molecules 2025, 30(7), 1526; https://doi.org/10.3390/molecules30071526 - 29 Mar 2025

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Abstract

LaFeO₃/TiO₂ composites were prepared in the range 0–12.2 wt% of LaFeO₃, characterized, and tested for both benzoic acid (BA) and 4-methoxycinnamic acid (MCA) degradation in aqueous solution, and hydrogen evolution. The preparation method was via ball-milling without thermal treatment. The composite materials presented agglomerates of LaFeO₃ with an average size from 1 to 5 μm, and the TiO₂ powder was well dispersed onto the surface of each sample. They showed varying activities for BA degradation depending on composition and light wavelength. The 6.2 wt% and 12.2 wt%-LaFeO₃/TiO₂ composites exhibited the highest activity under 380–800 nm light and could degrade BA in 300 min at BA concentration 13.4 mg L⁻¹ and catalyst 0.12 g L⁻¹. Using a 450 nm LED light source, all composites degraded less than 10% of BA, but in the presence of H₂O₂ (1 mM) the photocatalytic activity was as high as 96% in <120 min, 6.2 wt%-LaFeO₃/TiO₂ composite being the most efficient sample. It was found that in the presence of H₂O₂, BA degradation followed first order kinetic with a reaction rate constant of 4.8 × 10⁻⁴ s⁻¹. The hydrogen production rate followed a classical volcano-like behavior, with the highest reactivity (1600 μmol h⁻¹g⁻¹ at 60 °C) in the presence of 3.86%wt- LaFeO₃/TiO₂. It was also found that LaFeO₃/TiO₂ exhibited high stability in four recycled tests without losing activity for hydrogen production. Furthermore, a discussion on photogenerated charge-carrier transfer mechanism is briefly provided, focusing on lacking significant photocatalytic activity under 450 nm light, so p-n heterojunction formation is unlikely. Full article

(This article belongs to the Special Issue Research on Heterogeneous Catalysis—2nd Edition)

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14 pages, 3578 KiB

Open AccessArticle

Exploring Efficient and Energy-Saving Microwave Chemical and Material Processes Using Amplitude-Modulated Waves: Pd-Catalyzed Reaction and Ag Nanoparticle Synthesis

by Satoshi Horikoshi, Tomohiko Mitani and Nick Serpone

Molecules 2025, 30(3), 598; https://doi.org/10.3390/molecules30030598 - 28 Jan 2025

Viewed by 591

Abstract

This study investigated the impact of a 10 kHz amplitude-modulation (AM) wave from a semiconductor microwave generator on the heating of ultrapure water and electrolyte aqueous solutions containing NaCl. It also examined the effects of AM waves on the yields of 4-methylbiphenyl (4-MBP) in the heterogeneous Suzuki–Miyaura coupling reaction, which was conducted in the presence of palladium nanoparticles supported on activated carbon (Pd/AC), as well as their influence on the growth rate during silver nanoparticle synthesis. Applying AM waves, typically used in telecommunications, enhanced heating efficiencies and improved product yields in both the chemical reaction and nanoparticle growth. Irradiating with microwaves under AM conditions allowed it to reduce power output while still achieving target yields and growth rates, even at the same temperatures without AM. This indicates the potential for highly efficient and energy-saving microwave processes in chemical reactions and material synthesis. Full article

(This article belongs to the Special Issue Research on Heterogeneous Catalysis—2nd Edition)

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15 pages, 2600 KiB

Open AccessArticle

Ultrasonic Activation of Au Nanoclusters/TiO₂: Tuning Hydroxyl Radical Production Through Frequency and Nanocluster Size

by Takaaki Tsurunishi, Yuzuki Furui and Hideya Kawasaki

Molecules 2025, 30(3), 541; https://doi.org/10.3390/molecules30030541 - 24 Jan 2025

Cited by 1 | Viewed by 768

Abstract

This study explores the sonocatalytic activity of gold nanoclusters (Au NCs) combined with titanium dioxide (TiO₂) nanoparticles, forming Au NCs/TiO₂ composites. The hybrid material significantly enhances hydroxyl radical (•OH) generation under ultrasonic conditions, attributed to high-energy cavitation bubbles formed during ultrasonication. The effects of frequency (200, 430, and 950 kHz) and power were systematically evaluated on Au₁₄₄/TiO₂ composites, identifying 430 kHz as optimal for •OH production due to its efficient cavitation energy. Au₁₄₄ NCs function as electron traps, reducing electron–hole recombination in ultrasonically activated TiO₂, thereby improving charge separation and enhancing •OH generation. Size-dependent effects were also studied, showing an efficiency trend of Au₁₄₄ > Au₂₅ > plasmonic Au nanoparticles > bare TiO₂. These findings highlight the importance of ultrasonication frequency and Au NC size in optimizing sonocatalytic performance in the Au NCs/TiO₂ composites, providing valuable insights for designing advanced sonocatalysts with applications in chemical synthesis, environmental remediation, and biomedical fields. Full article

(This article belongs to the Special Issue Research on Heterogeneous Catalysis—2nd Edition)

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19 pages, 5961 KiB

Open AccessArticle

NiO Nano- and Microparticles Prepared by Solvothermal Method—Amazing Catalysts for CO₂ Methanation

by Arkadii Bikbashev, Tomáš Stryšovský, Martina Kajabová, Zuzana Kovářová, Robert Prucek, Aleš Panáček, Josef Kašlík, Tamás Fodor, Csaba Cserháti, Zoltán Erdélyi and Libor Kvítek

Molecules 2024, 29(20), 4838; https://doi.org/10.3390/molecules29204838 - 12 Oct 2024

Viewed by 1607

Abstract

Nickel oxide (NiO) is one of the most popular hydrogenation catalysts. In heterogeneous catalysis, nickel oxide is used, for example, as a suitable methanation catalyst in the Fischer–Tropsch reaction not only for CO hydrogenation but also in the modified Fischer–Tropsch reaction with CO₂. However, CH₄ selectivity and CO₂ conversion strongly depend on NiO micro- (MPs) and nanoparticles’ (NPs) shape, size, and surface area. In this study, the synthesis of NiO micro- and nanoparticles was conducted using the simple solvothermal method. Different morphologies (microspheres, sheet clusters, hexagonal microparticles, and nanodiscs) were prepared using this method with different solvents and stabilizers. The prepared catalysts were tested in the hydrogenation of CO₂ in a gas phase with excellent conversion values and high selectivity to produce CH₄. The best results were obtained with the NiO with disc or sphere morphology, which produced methane with selectivity at a level near 100% and conversion close to 90%. Full article

(This article belongs to the Special Issue Research on Heterogeneous Catalysis—2nd Edition)

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23 pages, 4888 KiB

Open AccessArticle

Thermal Surface Properties, London Dispersive and Polar Surface Energy of Graphene and Carbon Materials Using Inverse Gas Chromatography at Infinite Dilution

by Tayssir Hamieh

Molecules 2024, 29(12), 2871; https://doi.org/10.3390/molecules29122871 - 17 Jun 2024

Cited by 2 | Viewed by 1877

Abstract

The thermal surface properties of graphenes and carbon materials are of crucial importance in the chemistry of materials, chemical engineering, and many industrial processes. Background: The determination of these surface properties is carried out using inverse gas chromatography at infinite dilution, which leads to the retention volume of organic solvents adsorbed on solid surfaces. This experimental and fundamental parameter actually reflects the surface thermodynamic interactions between injected probes and solid substrates. Methods: The London dispersion equation and the Hamieh thermal model are used to quantify the London dispersive and polar surface energy of graphenes and carbon fibers as well their Lewis acid-base constants by introducing the coupling amphoteric constant of materials. Results: The London dispersive and polar acid-base surface energies, the free energy of adsorption, the polar enthalpy and entropy, and the Lewis acid-base constants of graphenes and carbon materials are determined. Conclusions: It is shown that graphene exhibited the highest values of London dispersive surface energy, polar surface energy, and Lewis acid-base constants. The highest characteristics of graphene justify its great potentiality and uses in many industrial applications. Full article

(This article belongs to the Special Issue Research on Heterogeneous Catalysis—2nd Edition)

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13 pages, 6866 KiB

Open AccessArticle

Highly Efficient and Selective Hydrogenation of Biomass-Derived Furfural Using Interface-Active Rice Husk-Based Porous Carbon-Supported NiCu Alloy Catalysts

by Zhiyao Ding, Yujun Gao, Lianghai Hu and Xiaomin Yang

Molecules 2024, 29(11), 2638; https://doi.org/10.3390/molecules29112638 - 3 Jun 2024

Cited by 1 | Viewed by 873

Abstract

A series of bimetallic Ni_xCu_y catalysts with different metal molar ratios, supported on nitric acid modified rice husk-based porous carbon (RHPC), were prepared using a simple impregnation method for the liquid-phase hydrogenation of furfural (FFA) to tetrahydrofurfuryl alcohol (THFA). The Ni₂Cu₁/RHPC catalyst, with an average metal particle size of 9.3 nm, exhibits excellent catalytic performance for the selective hydrogenation of FFA to THFA. The 100% conversion of FFA and the 99% selectivity to THFA were obtained under mild reaction conditions (50 °C, 1 MPa, 1 h), using water as a green reaction solvent. The synergistic effect of NiCu alloy ensures the high catalytic activity. The acid sites and oxygen-containing functional groups on the surface of the modified RHPC can enhance the selectivity of THFA. The Ni₂Cu₁/RHPC catalyst offers good cyclability and regenerability. The current work proposes a simple method for preparing an NiCu bimetallic catalyst. The catalyst exhibits excellent performance in the catalytic hydrogenation of furfural to tetrahydrofurfuryl alcohol, which broadens the application of non-noble metal bimetallic nanocatalysts in the catalytic hydrogenation of furfural. Full article

(This article belongs to the Special Issue Research on Heterogeneous Catalysis—2nd Edition)

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16 pages, 2740 KiB

Open AccessArticle

Enhanced Heterogeneous Fenton Degradation of Organic Dyes by Bimetallic Zirconia-Based Catalysts

by Eleonora Aneggi, Sajid Hussain, Walter Baratta, Daniele Zuccaccia and Daniele Goi

Molecules 2024, 29(9), 2074; https://doi.org/10.3390/molecules29092074 - 30 Apr 2024

Cited by 1 | Viewed by 1656

Abstract

The qualitative impact of pollutants on water quality is mainly related to their nature and their concentration, but in any case, they determine a strong impact on the involved ecosystems. In particular, refractory organic compounds represent a critical challenge, and several degradation processes have been studied and developed for their removal. Among them, heterogeneous Fenton treatment is a promising technology for wastewater and liquid waste remediation. Here, we have developed mono- and bimetallic formulations based on Co, Cu, Fe, and Mn, which were investigated for the degradation of three model organic dyes (methylene blue, rhodamine B, and malachite green). The treated samples were then analyzed by means of UV-vis spectrophotometry techniques. Bimetallic iron-based materials achieved almost complete degradation of all three model molecules in very short time. The Mn-Fe catalyst resulted in the best formulation with an almost complete degradation of methylene blue and malachite green at pH 5 in 5 min and of rhodamine B at pH 3 in 30 min. The results suggest that these formulations can be applied for the treatment of a broad range of liquid wastes comprising complex and variable organic pollutants. The investigated catalysts are extremely promising when compared to other systems reported in the literature. Full article

(This article belongs to the Special Issue Research on Heterogeneous Catalysis—2nd Edition)

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Review

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34 pages, 7374 KiB

Open AccessReview

The Application of 2D Graphitic Carbon Nitride (g-C₃N₄) and Hexagonal Boron Nitride (h-BN) in Low-Temperature Fuel Cells: Catalyst Supports, ORR Catalysts, and Membrane Fillers

by Ermete Antolini

Molecules 2025, 30(8), 1852; https://doi.org/10.3390/molecules30081852 - 20 Apr 2025

Viewed by 201

Abstract

In recent years, two-dimensional (2D) graphitic carbon nitride (g-C₃N₄) and hexagonal boron nitride (h-BN) have gained remarkable attention due to their resemblance to graphene. These materials have a wide range of applications in energy and other sustainable fields, including heterogeneous catalysis and photocatalysis. g-C₃N₄ and h-BN can play different roles in low-temperature fuel cells. They can be used as catalyst supports, catalysts for oxygen reduction, and membrane fillers. In this work, the application of pure and doped g-C₃N₄ and h-BN, alone or as composite materials, in low-temperature fuel cells is overviewed. Full article

(This article belongs to the Special Issue Research on Heterogeneous Catalysis—2nd Edition)

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18 pages, 3354 KiB

Open AccessReview

Advances in Catalyst Design for β-Lactone Formation via Ring-Expansion Carbonylation

by Ali Hasnain, Vinothkumar Ganesan and Sungho Yoon

Molecules 2025, 30(7), 1399; https://doi.org/10.3390/molecules30071399 - 21 Mar 2025

Viewed by 271

Abstract

Over the past three decades, β-lactones have emerged as valuable intermediates for producing diverse industrial chemicals and biodegradable polymers. The ring-expansion carbonylation (REC) of epoxides has become an atom-economical and direct approach to β-lactone production, leveraging readily available carbon monoxide and epoxides. While homogeneous catalysts, particularly bimetallic [Lewis acid]⁺[Lewis base]⁻-type systems, have demonstrated exceptional activity and selectivity, issues like recycling and separation limit the industrial scalability. Heterogenized catalysts offer advantages such as ease of separation and reusability but suffer from reduced efficiency. Recent advancements in porous polymer-based heterogeneous systems, including immobilized cobaltate anions, address these challenges by combining high surface areas with enhanced catalytic performance. Herein, we explore the evolution of homogeneous to heterogeneous REC catalysts, highlighting emerging porous materials and their potential for scalable β-lactone synthesis. Future directions emphasize overcoming the remaining barriers to establish robust, efficient, and sustainable catalytic processes. Full article

(This article belongs to the Special Issue Research on Heterogeneous Catalysis—2nd Edition)

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14 pages, 1624 KiB

Open AccessReview

Recent Progress on the Catalytic Application of Bimetallic PdCu Nanoparticles

by Agnes Mastalir

Molecules 2024, 29(24), 5857; https://doi.org/10.3390/molecules29245857 - 12 Dec 2024

Viewed by 1000

Abstract

Bimetallic PdCu nanoparticles with different Pd:Cu ratios and morphologies can be synthesized and immobilized on a variety of support materials. Accordingly, PdCu nanoparticles can be efficiently applied as heterogeneous catalysts in a large number of organic transformations including C-C coupling and cross-coupling reactions. As related to their favorable electronic and structural interactions, the catalytic performances of PdCu bimetallic nanoparticles may be superior to monometallic species. The heterogeneous catalysts can be recovered and reused, and the presence of copper tends to reduce the cost of the expensive Pd catalyst, which is beneficial for industrial applications. Full article

(This article belongs to the Special Issue Research on Heterogeneous Catalysis—2nd Edition)

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