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Heterogeneous Catalysts: From Synthesis to Application

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

Deadline for manuscript submissions: closed (31 March 2026) | Viewed by 13878

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Dr. Milan Kralik

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Institute of Organic Chemistry, Catalysis and Petrochemistry, Slovak University of Technology in Bratislava, Radlinského 9, 812 37 Bratislava, Slovak Republic
Interests: homogeneous and heterogeneous catalysis, synthesis, characterization, and application of catalysts; mathematical modeling involving intrinsic reaction kinetics, mass and heat transfers, optimization, and process design

Special Issue Information

Dear Colleagues,

New experimental and characterization techniques allow us to develop modern, more sophisticated catalytic synthesis faster than with past processes. Research results together with mathematical modelling and automated design may accelerate technological realizations. This Special Issue (SI) is aimed at collecting new basic and applied research over various types of heterogenous catalysts. Classical (inorganic) acid–base and redox catalysis, hybridized organic polymer catalysts, immobilized metalorganic and enzyme catalysts, and electrocatalysts as well as photocatalysts are the subjects of this SI. Laboratory results elaborated to a technological realization are particularly welcome. The ecological, safety, and economic features of original synthesis and data for larger-scale applications underline the effectiveness and usefulness of the presented research. Modern approaches to the investigation of heterogeneous catalytic processes—with sophisticated spectral methods (electron microscopy, NMR, EPR, XPS, and others) and modelling at a molecular and atomic level yielding recommendations for the optimum design of a catalyst and conditions for performing synthesis of a target product—may also be contributions to this SI. The preparation of chemical specialties, mainly biologically active substances and solutions to ecological problems, e.g., exploitation of CO₂, are of special interest. Reviews describing a transformation of “old technologies” to “modern ones”, e.g., substitution of homogeneous catalysts by immobilized catalytic moieties, or utilization of solid acid catalysts instead of homogeneously applied Bronsted and Lewis acids, can be an inspiration and acceleration of applications in the field of heterogeneous catalysis.

Dr. Milan Kralik
Guest Editor

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Keywords

heterogeneous catalyst
acid–base
redox
enzymatic
electrocatalytic
photocatalytic
chemical specialties
characterization methods
mathematical modelling
process design
ecology
safety
economy

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Published Papers (5 papers)

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Research

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13 pages, 1748 KB

Open AccessArticle

Multiparameter Effect Study on Lactose and Whey Permeate Conversion to Lactic Acid and HMF Catalysed by Erbium

by Maoline D. Houndedoke, Daniel Nickson, Michel Pouliot and Gregory S. Patience

Molecules 2026, 31(10), 1596; https://doi.org/10.3390/molecules31101596 - 10 May 2026

Viewed by 476

Abstract

Making 1

k

t

of cheese produces 9

k

t

of cheese whey permeate, a waste with 5% lactose, which is either discarded or dried for animal feed. One pathway to add value to this waste is to convert it to lactic acid [...] Read more.

Making 1

k

t

of cheese produces 9

k

t

of cheese whey permeate, a waste with 5% lactose, which is either discarded or dried for animal feed. One pathway to add value to this waste is to convert it to lactic acid (LA), a monomer for polylactic acid, the largest bioplastic produced in the world. Lactose hydrolyses to glucose and galactose. While Brønsted acidity enhances lactose hydrolysis, Lewis acidity favours the formation of lactic acid. For the first time, we tested both industrial whey permeate and purified lactose as feedstocks for LA over a heterogeneous catalyst–Er₂O₃/Al₂O₃. LA Yield from whey permeate reached 14%, while the maximum yield with purified lactose was 22%. LA yield was invariant with respect to mixing speed while increasing temperature accelerates the time it takes to reach quasi-equilibrium. Yield was also independent of pressure with either air, He, N₂, or H₂ in the vapour space above the liquid phase in the autoclave. LA yield over spent catalyst with fresh lactose was only 11%, which indicates that the catalyst deactivates. Based on XRF analyses, the Er₂O₃ mass fraction dropped from 15% to 5%, with 6.4% leaching into the aqueous phase after the first step but only 0.8% after the second test. Full article

(This article belongs to the Special Issue Heterogeneous Catalysts: From Synthesis to Application)

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12 pages, 2856 KB

Open AccessArticle

Preparation of Fe-Doped Ba_0.7Pr_0.3CoO_3−δ Perovskite Oxide for Electrocatalytic Hydrogen Evolution

by Chengwei Fan, Fuhe Le, Wuyang Xiao, Letao Zhang, Xueying Cao and Xiaoyu Dong

Molecules 2026, 31(4), 742; https://doi.org/10.3390/molecules31040742 - 21 Feb 2026

Viewed by 734

Abstract

Developing efficient and stable electrocatalysts for the hydrogen evolution reaction (HER) is critical for advancing clean and sustainable energy technologies. Herein, a Fe-doped perovskite oxide Ba_0.7Pr_0.3Co_0.8Fe_0.2O_3−δ (BPCF_0.2) was successfully synthesized via the sol–gel method. By regulating the stoichiometric ratio of precursors and calcination temperature, a stable single-phase perovskite structure was achieved. X-ray photoelectron spectroscopy (XPS) analysis indicated that Fe incorporation increased the proportion of high-valent Co species and lattice oxygen content, which respectively reduced the charge transfer resistance of BPCF_0.2, thereby significantly enhancing catalytic performance. Electrochemical measurements revealed that BPCF_0.2 exhibited remarkable HER activity in 1.0 M KOH, achieving an overpotential of 172 mV at a current density of 10 mA cm⁻², with no significant decay during 200 h of continuous HER testing at 100 mA cm⁻². These results demonstrate that the Fe doping strategy can effectively optimize the electronic structure, providing valuable insights for the development of perovskite-based HER catalysts. Full article

(This article belongs to the Special Issue Heterogeneous Catalysts: From Synthesis to Application)

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20 pages, 19644 KB

Open AccessArticle

Effect of Support and Polymer Modifier on the Catalytic Performance of Supported Palladium Catalysts in Hydrogenation

by Assemgul S. Auyezkhanova, Eldar T. Talgatov, Sandugash N. Akhmetova, Aigul I. Jumekeyeva, Akzhol A. Naizabayev, Aigul T. Zamanbekova and Makpal K. Malgazhdarova

Molecules 2025, 30(18), 3820; https://doi.org/10.3390/molecules30183820 - 19 Sep 2025

Cited by 1 | Viewed by 1510

Abstract

In this study, we investigated the influence of polymer nature and support characteristics on the performance of Pd-based heterogeneous catalysts. Catalysts were prepared via sequential adsorption of poly(4-vinylpyridine) (P4VP) or chitosan (CS) and palladium ions onto MgO and SBA-15 supports under ambient conditions. The resulting hybrid materials were characterized by IR spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), and X-ray photoelectron spectra (XPS). TEM analysis revealed that Pd nanoparticles with an average size of 2–3 nm were well-dispersed on P4VP/MgO, while larger and less uniformly distributed particles (8–10 nm) were observed on SBA-15-based systems. Catalytic tests in the hydrogenation of 2-propen-1-ol, phenylacetylene, and 2-hexyn-1-ol under mild conditions (40 °C, 1 atm H₂, ethanol) demonstrated that both the support and polymer type significantly influence activity and selectivity. P4VP-modified catalysts outperformed CS-containing analogs in all reactions. MgO-based systems showed higher activity and selectivity in 2-propen-1-ol hydrogenation compared to SBA-15-based catalysts. The 1%Pd–P4VP/MgO catalyst exhibited the best performance, with a reaction rate of 5.2 × 10⁻⁶ mol/s, 83.4% selectivity to propanol, and stable activity over 30 consecutive runs. In phenylacetylene and 2-hexyn-1-ol hydrogenation, all catalysts showed high selectivity to styrene (93–95%) and cis-2-hexen-1-ol (96–97%), respectively. The incorporation of P4VP polymer into the Pd/MgO catalyst leads to smaller and better-distributed palladium particles, resulting in enhanced catalytic activity and stability during hydrogenation reactions. These results confirm that the choice of polymer modifier and inorganic support must be tailored to the specific reaction, enabling the design of highly active and selective polymer-modified Pd catalysts for selective hydrogenation processes under mild conditions. Full article

(This article belongs to the Special Issue Heterogeneous Catalysts: From Synthesis to Application)

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24 pages, 11937 KB

Open AccessArticle

Effect of Pectin and Copper Modification on the Performance of Pd/ZnO Catalyst in Liquid-Phase Hydrogenation and Photocatalytic Hydrogen Evolution

by Alima M. Kenzheyeva, Alima K. Zharmagambetova, Eldar T. Talgatov, Aigul T. Zamanbekova, Aigul I. Jumekeyeva, Assemgul S. Auyezkhanova, Zhannur K. Myltykbayeva and Atıf Koca

Molecules 2025, 30(18), 3806; https://doi.org/10.3390/molecules30183806 - 18 Sep 2025

Cited by 1 | Viewed by 1321

Abstract

This study investigates the influence of pectin and copper incorporation on the catalytic properties of Pd/ZnO catalysts in the liquid-phase hydrogenation of 2-hexyn-1-ol and photocatalytic hydrogen evolution. A series of monometallic Pd/ZnO catalysts with varying pectin contents (0–8.1 wt%) and bimetallic PdCu-Pec/ZnO catalysts with different Pd to Cu mass ratios (3:1, 1:1, 1:3) were synthesized via sequential adsorption of the polymer and metal ions onto ZnO. The catalysts were characterized using TGA, EDX, IR spectroscopy, XRD, TEM, UV–Vis DRS, and XPS. Characterization confirmed successful modification and changes in surface properties. Pectin modification improved the distribution of Pd nanoparticles on the surface of ZnO, resulting in the enhanced catalytic performance of Pd-Pec/ZnO in both hydrogenation and hydrogen evolution reactions compared to unmodified Pd/ZnO. In contrast, copper addition led to a deterioration of catalytic properties in both processes, likely due to the inhibited reduction of Pd caused by Pd–Cu interactions. Among the catalysts studied, Pd-Pec/ZnO with low pectin content (1.8 wt%) exhibited the highest activity in both reactions. The hydrogenation of 2-hexyn-1-ol to cis-2-hexen-1-ol proceeded with high selectivity (96%) at a rate (W_C≡C) of 3.3 × 10⁻⁶ mol/s, and the catalyst retained its activity over 30 consecutive runs. In the photocatalytic hydrogen evolution reaction, the rate reached 1.11 mmol/(h·g_cat) and the catalyst maintained ~94% of its initial activity after three consecutive runs. These findings demonstrate the potential of biopolymer-modified ZnO composites for the design of multifunctional catalysts combining hydrogenation and photocatalytic activity. Full article

(This article belongs to the Special Issue Heterogeneous Catalysts: From Synthesis to Application)

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Review

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82 pages, 15313 KB

Open AccessReview

Research and Developments of Heterogeneous Catalytic Technologies

by Milan Králik, Peter Koóš, Martin Markovič and Pavol Lopatka

Molecules 2025, 30(15), 3279; https://doi.org/10.3390/molecules30153279 - 5 Aug 2025

Cited by 10 | Viewed by 8569

Abstract

This review outlines a comprehensive methodology for the research and development of heterogeneous catalytic technologies (R&D_HeCaTe). Emphasis is placed on the fundamental interactions between reactants, solvents, and heterogeneous catalysts—specifically the roles of catalytic centers and support materials (e.g., functional groups) in modulating activation energies and stabilizing catalytic functionality. Particular attention is given to catalyst deactivation mechanisms and potential regeneration strategies. The application of molecular modeling and chemical engineering analyses, including reaction kinetics, thermal effects, and mass and heat transport phenomena, is identified as essential for R&D_HeCaTe. Reactor configuration is discussed in relation to key physicochemical parameters such as molecular diffusivity, reaction exothermicity, operating temperature and pressure, and the phase and “aggressiveness” of the reaction system. Suitable reactor types—such as suspension reactors, fixed-bed reactors, and flow microreactors—are evaluated accordingly. Economic and environmental considerations are also addressed, with a focus on the complexity of reactions, selectivity versus conversion trade-offs, catalyst disposal, and separation challenges. To illustrate the breadth and applicability of the proposed framework, representative industrial processes are discussed, including ammonia synthesis, fluid catalytic cracking, methanol production, alkyl tert-butyl ethers, and aniline. Full article

(This article belongs to the Special Issue Heterogeneous Catalysts: From Synthesis to Application)

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