Sustainable Catalysis for Green Chemistry and Energy Transition

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

Deadline for manuscript submissions: 31 May 2025 | Viewed by 4675

Special Issue Editors


E-Mail Website
Guest Editor
Department of Life Sciences, Yeungnam University, Gyeongsan 38541, Gyeongbuk, Republic of Korea
Interests: sustainable catalysis; green chemistry; renewable energy; biochar; nanotechnology; biocatalysis; CO2 conversion; biomass valorization; circular economy; machine learning; medicinal plants; climate change mitigation; salinity stress; antioxidants; CRISPR/Cas genome editing
Special Issues, Collections and Topics in MDPI journals

E-Mail Website
Guest Editor
Department of Chemistry, Yeungnam University, Gyeongsan 38541, Republic of Korea
Interests: catalysis; green chemistry; organic chemistry; sustainable chemistry; reaction mechanisms; catalyst design; renewable resources; environmentally friendly synthesis; waste reduction; process efficiency

Special Issue Information

Dear Colleagues,

Catalysis stands at the forefront of sustainable development, offering transformative solutions in chemistry and energy that are essential in addressing global environmental challenges. By enabling eco-friendly chemical reactions and advancing renewable energy technologies, catalysis is vital in achieving a sustainable future. This field supports green chemistry by reducing waste, enhancing efficiency, and allowing operation under milder conditions, aligning closely with the principles needed for sustainable industry practices. It also plays a pivotal role in moving toward the energy transition, as innovative catalytic systems are vital in developing renewable resources such as hydrogen, biofuels, and CO2 reduction technologies, offering cleaner alternatives to traditional fossil fuels.

This Special Issue will highlight a range of catalytic innovations designed to meet sustainability goals, with a focus on key areas such as heterogeneous catalysis for renewable energy, emphasizing materials and processes that support hydrogen evolution, CO2 conversion, and biofuel production. Another critical focus involves photocatalysis and electrocatalysis, enabling solar-driven and electrochemical reactions to transform energy storage and conversion processes.

The scope further encompasses biocatalysis and biomass valorization, exploring enzyme-based systems to convert biomass into valuable chemicals and fuels, thus reducing waste and enhancing resource efficiency. Articles could also cover transition metal and organometallic catalysis with systems designed to operate under mild conditions, improve selectivity, and minimize waste, which is crucial in scalable and green processes.

Integrating catalysis into a circular economy framework is also central to this transition, emphasizing catalytic recycling and waste valorization to close the loop in chemical processes, reducing environmental impacts. Computational catalysis and machine learning represent an exciting frontier, as computational methods and AI are now essential tools in catalyst design, enabling the prediction and optimization of catalytic behavior for more efficient discoveries.

By gathering research at this intersection, this Special Issue will drive advancements in green chemistry and energy, fostering catalytic solutions that support a transition toward a sustainable, low-carbon future.

Prof. Dr. Wajid Zaman
Prof. Dr. Muhammad Saeed Akhtar
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Catalysts is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2200 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • sustainable catalysis
  • green chemistry
  • energy transition
  • heterogeneous catalysis
  • renewable energy
  • hydrogen evolution
  • CO2 conversion
  • biofuels
  • photocatalysis
  • electrocatalysis
  • biocatalysts
  • biomass valorization
  • transition metal catalysis
  • organometallic catalysis
  • circular economy
  • catalytic recycling
  • computational catalysis
  • machine learning
  • catalyst design
  • low-carbon future

Benefits of Publishing in a Special Issue

  • Ease of navigation: Grouping papers by topic helps scholars navigate broad scope journals more efficiently.
  • Greater discoverability: Special Issues support the reach and impact of scientific research. Articles in Special Issues are more discoverable and cited more frequently.
  • Expansion of research network: Special Issues facilitate connections among authors, fostering scientific collaborations.
  • External promotion: Articles in Special Issues are often promoted through the journal's social media, increasing their visibility.
  • e-Book format: Special Issues with more than 10 articles can be published as dedicated e-books, ensuring wide and rapid dissemination.

Further information on MDPI's Special Issue polices can be found here.

Published Papers (8 papers)

Order results
Result details
Select all
Export citation of selected articles as:

Research

Jump to: Review

22 pages, 6298 KiB  
Article
Influence of Secondary Porosity Introduction via Top-Down Methods on MOR, ZSM-5, and Y Zeolites on Their Cumene Cracking Performance
by Josué C. Souza, Mariele I. S. Mello, Felipe F. Barbosa, Iane M. S. Souza, Alexander Sachse and Sibele B. C. Pergher
Catalysts 2025, 15(2), 146; https://doi.org/10.3390/catal15020146 - 4 Feb 2025
Viewed by 374
Abstract
The influence of secondary porosity and the dimensionality of zeolitic structures with 1D and 3D pore systems on the accessibility of cumene to Brønsted acid sites was evaluated in this study. Zeolites Y, ZSM-5, and MOR, obtained through NH4F leaching and basic and [...] Read more.
The influence of secondary porosity and the dimensionality of zeolitic structures with 1D and 3D pore systems on the accessibility of cumene to Brønsted acid sites was evaluated in this study. Zeolites Y, ZSM-5, and MOR, obtained through NH4F leaching and basic and acid treatments, were studied. Zeolites Y and ZSM-5 showed a significant increase in specific surface area while maintaining the micropore volume as well as an increase in the concentration of Brønsted acid sites following treatment. Zeolite MOR exhibited an increase in mesopore volume and retained Brønsted acidity. The impact of the treatments on catalytic properties was evaluated through cumene cracking, which yielded high catalytic conversion for the materials. This result is consistent with the goal of the model reaction to characterize Brønsted acid sites, enhance accessibility, and reduce diffusion paths. Full article
(This article belongs to the Special Issue Sustainable Catalysis for Green Chemistry and Energy Transition)
Show Figures

Figure 1

17 pages, 3856 KiB  
Article
Piezoelectric-Driven Fenton System Based on Bismuth Ferrite Nanosheets for Removal of N-acetyl-para-aminophenol in Aqueous Environments
by Chi Zhou, Shenglong Jing, Teng Miao, Nianlai Zhou, Hang Zhang, Yi Zhang, Lin Ge, Wencheng Liu and Zixin Yang
Catalysts 2025, 15(2), 126; https://doi.org/10.3390/catal15020126 - 27 Jan 2025
Viewed by 482
Abstract
Emerging pollutants, such as N-acetyl-para-aminophenol, pose significant challenges to environmental sustainability, and Bi2Fe2O2 (BFO) nanomaterials are an emerging class of piezoelectric materials. This study presents a novel piezoelectric-driven Fenton system based on Bi2Fe4O [...] Read more.
Emerging pollutants, such as N-acetyl-para-aminophenol, pose significant challenges to environmental sustainability, and Bi2Fe2O2 (BFO) nanomaterials are an emerging class of piezoelectric materials. This study presents a novel piezoelectric-driven Fenton system based on Bi2Fe4O9 nanosheets for the efficient degradation of organic pollutants. BFO nanosheets with varying thicknesses were synthesized, and their piezoelectric properties were confirmed through piezoresponse force microscopy and heavy metal ion reduction experiments. The piezoelectric electrons generated within the BFO nanosheets facilitate the in situ production of hydrogen peroxide, which in turn drives the Fenton-like reaction. Furthermore, the piezoelectric electrons enhance the redox cycling of iron in the Fenton process, boosting the overall catalytic efficiency. The energy band structure of BFO nanosheets is well-suited for this process, enabling efficient hydrogen peroxide generation and promoting Fe³⁺ reduction. The findings demonstrate that thinner BFO nanosheets exhibit superior piezoelectric activity, leading to enhanced catalytic performance. Additionally, the incorporation of gold nanodots onto BFO nanosheets further boosts their piezocatalytic efficiency, particularly in the reduction of Cr (VI). The system exhibited robust oxidative capacity, stability, and recyclability, with reactive oxygen species (ROS) verified via electron paramagnetic resonance spectroscopy. Overall, BFO nanosheets, with their optimal energy band structure, self-supplied hydrogen peroxide, and enhanced Fe³⁺ reduction, represent a promising, sustainable solution for advanced oxidation processes in wastewater treatment and other applications. Full article
(This article belongs to the Special Issue Sustainable Catalysis for Green Chemistry and Energy Transition)
Show Figures

Graphical abstract

14 pages, 2079 KiB  
Article
Diastereoselective Synthesis of 2-Amino-spiro[4.5]decane-6-ones Through Synergistic Photocatalysis and Organocatalysis for [3 + 2] Cycloaddition of Cyclopropylamines with Olefins
by Tianxiao Hu and Xufeng Lin
Catalysts 2025, 15(2), 107; https://doi.org/10.3390/catal15020107 - 22 Jan 2025
Viewed by 445
Abstract
This research employs 2-methylene-tetrahydronaphtalene-1-ones and N-cyclopropylanilines as starting materials, integrating photocatalysis and organic phosphoric acid catalysis to synthesize 2-amino-spiro[4.5]decane-6-ones via a [3 + 2] cycloaddition approach. This method boasts the advantage of mild reaction conditions that are photocatalyst-free and metal catalyst-free. It achieves [...] Read more.
This research employs 2-methylene-tetrahydronaphtalene-1-ones and N-cyclopropylanilines as starting materials, integrating photocatalysis and organic phosphoric acid catalysis to synthesize 2-amino-spiro[4.5]decane-6-ones via a [3 + 2] cycloaddition approach. This method boasts the advantage of mild reaction conditions that are photocatalyst-free and metal catalyst-free. It achieves 100% atom conversion of the substrates, aligning with the principles of green chemistry. Additionally, it attains a high diastereoselectivity result of up to 99:1, demonstrating good stereoselectivity. In the derivatives of 2-methylene-tetrahydronaphtalene-1-ones, substrates with alkane rings of different sizes or thiophene replacing the phenyl ring are also amenable to this method, enabling the synthesis of different [4.4], [4.5], and [4.6] spirocyclic compounds. In the derivatives of N-cyclopropylanilines, substrates with para-fluoro and meta-fluoro substitutions are also amenable to this method. Finally, a preliminary mechanistic investigation was conducted, proposing a plausible reaction mechanism pathway initiating from the intermediate N-cyclopropylanilines with chiral phosphoric acid. Full article
(This article belongs to the Special Issue Sustainable Catalysis for Green Chemistry and Energy Transition)
Show Figures

Figure 1

16 pages, 2282 KiB  
Article
Theoretical Insights into Methanol Electro-Oxidation on NiPd Nanoelectrocatalysts: Investigating the Carbonate–Palladium Oxide Pathway and the Role of Water and OH Adsorption
by Alan Santoveña-Uribe, Aldo Ledesma-Durán, Julisa Torres-Enriquez and Ivan Santamaría-Holek
Catalysts 2025, 15(2), 101; https://doi.org/10.3390/catal15020101 - 22 Jan 2025
Viewed by 420
Abstract
We conducted a theoretical and experimental study on the electro-oxidation of methanol (MOR) on NixPdy nanoparticles. The results are presented in terms of kinetic parameters, surface concentrations, and peak currents, showing significant differences between three main compositions: Ni3Pd [...] Read more.
We conducted a theoretical and experimental study on the electro-oxidation of methanol (MOR) on NixPdy nanoparticles. The results are presented in terms of kinetic parameters, surface concentrations, and peak currents, showing significant differences between three main compositions: Ni3Pd1, Ni1Pd1, and Ni1Pd3. The kinetic mechanism adopted for accounting the linear voltammetry experiments performed follows the carbonate–palladium oxide pathway of the MOR. Numerical simulations of the kinetic equations, fitted to experimental data obtained at varying methanol concentrations, allowed us to distinguish the adsorption contributions of methanol, water, and OH ions from the nonlinear contribution associated with palladium oxide and carbon dioxide production. The synergistic effects of Ni:Pd nanoalloys on the MOR were then assessed by analyzing the behavior and tendencies of the reaction rate constants for different bulk methanol concentrations. Our results suggest that a higher Pd content favors more efficient oxidation mechanisms by reducing the formation of intermediate products that cause surface poisoning, such as CO, carbonates, or palladium oxide. However, as the proportion of Ni increases, an increase in the concentration of adsorbed OH is observed, which dominates the blocking of active sites even greater than the palladium oxide blocking. Full article
(This article belongs to the Special Issue Sustainable Catalysis for Green Chemistry and Energy Transition)
Show Figures

Figure 1

16 pages, 34624 KiB  
Article
Controlling the Carbon Species to Design Effective Photocatalysts Based on Explosive Reactions for Purifying Water by Light
by Osama Saber, Chawki Awada, Asmaa M. Hegazy, Aya Osama, Nagih M. Shaalan, Adil Alshoaibi and Mostafa Osama
Catalysts 2025, 15(1), 96; https://doi.org/10.3390/catal15010096 - 20 Jan 2025
Viewed by 508
Abstract
The international challenges of water directed the scientists to face the environment-related problems because of the high concentrations of industrial pollutants. In this direction, the present study focuses on designing effective photocatalysts by explosive technique to use light as a driving force for [...] Read more.
The international challenges of water directed the scientists to face the environment-related problems because of the high concentrations of industrial pollutants. In this direction, the present study focuses on designing effective photocatalysts by explosive technique to use light as a driving force for removing industrial pollutants from water. These photocatalysts consist of gold, carbon species (nanotubes, nanofibers, and nanoparticles), and aluminum oxides. By controlling the explosive processes, two photocatalysts were prepared; one was based on carbon nanotubes and nanofibers combined with aluminum oxide, and the other contained the nanoparticles of both carbon and aluminum oxides. The Raman spectra, transmission electronic microscopy (TEM), energy-dispersive X-ray spectroscopy (EDX), and mapping images confirmed the presence of these nanostructures in homogenous nanocomposites. The optical properties of the prepared nanocomposites were evaluated by UV–Vis absorbance, band gap energy, and photoluminescence (PL) measurements. The experimental results indicated that the presence of CNTs and CNFs led to a lowering of the band gap energy of the prepared nanocomposite to 2.3 eV. This band gap energy is suitable for obtaining an effective photocatalyst. This speculation was confirmed through photocatalytic degradation of the green dyes. The prepared photocatalyst caused a complete removal of the dyes from water after 21 min of light radiation. PL measurement indicated that the CNTs and CNFs have important roles in accelerating the photocatalytic degradation of the pollutants. A kinetic study confirmed that carbon nanotubes boosted the efficiency of the photocatalyst to accelerate the reaction rate of the photocatalytic decomposition of the green dyes more than four times faster than the photocatalyst based on the carbon nanoparticles. Finally, this study concluded that CNTs and CNFs are more favorable than carbon nanoparticles for designing effective photocatalysts to meet the special requirements of the markets of pollutant removal and water purification. Full article
(This article belongs to the Special Issue Sustainable Catalysis for Green Chemistry and Energy Transition)
Show Figures

Figure 1

11 pages, 1397 KiB  
Article
Effects of Enzymatic Disintegration on the Decomposition of Organic Compounds During Methane Fermentation of Sewage Sludge
by Bartłomiej Macherzyński
Catalysts 2025, 15(1), 75; https://doi.org/10.3390/catal15010075 - 15 Jan 2025
Viewed by 629
Abstract
This paper presents the results of a study on the effect of lipase on the methane fermentation of sewage sludge. The process was conducted at 37 °C for 20 days for five sludge mixtures. Excess sludge inoculated with digested sludge constituted the control [...] Read more.
This paper presents the results of a study on the effect of lipase on the methane fermentation of sewage sludge. The process was conducted at 37 °C for 20 days for five sludge mixtures. Excess sludge inoculated with digested sludge constituted the control sample. The other four samples are the aforementioned mixtures with the addition of lipase in amounts representing 0, 1, 2, 3, and 4% (w/w) with respect to sludge dry weight. The organic matter decomposition rate was 27.1% in the control sludge and from 33.5 to 46.7% in the disintegrated sludge. During the digestion of the control sludge, the total amount of biogas was 5802 mL·L−1. In sewage sludge enzymatically disintegrated by lipase, there was an increase in biogas from 15 to 26%. In the disintegrated sludge, an almost complete (95–100%) reduction in E. coli and Salmonella spp. was achieved. Therefore, enzymatic disintegration can be an effective alternative to physical and chemical disintegration methods. Full article
(This article belongs to the Special Issue Sustainable Catalysis for Green Chemistry and Energy Transition)
Show Figures

Graphical abstract

11 pages, 2901 KiB  
Article
Using a Single-Atom FeN4 Catalyst on Defective Graphene for the Efficient Reduction of NO to Alanine: A Computational Study
by Yu Tian, Xiaoxi Yuan, Zexuan Guo, Jingyao Liu, Tingting Zhao and Zhongmin Su
Catalysts 2024, 14(12), 876; https://doi.org/10.3390/catal14120876 - 30 Nov 2024
Viewed by 629
Abstract
The use of a single-atom FeN4 catalyst on defective graphene (Fe-NC) has recently emerged as an effective method for the synthesis of amino acids. Herein, we investigated the mechanism of alanine formation on FeN4-doped graphene using comprehensive density [...] Read more.
The use of a single-atom FeN4 catalyst on defective graphene (Fe-NC) has recently emerged as an effective method for the synthesis of amino acids. Herein, we investigated the mechanism of alanine formation on FeN4-doped graphene using comprehensive density functional theory (DFT) computations. The alanine formation reaction begins with the activation of NO molecules on the surface, followed by their reaction with hydrogen atoms provided in the system. The computational results show that NO molecules can be effectively activated on Fe-NC, facilitating the subsequent alanine formation at a relatively lower potential. The potential-limiting step in alanine production involves either the formation of HNO* or HNOH* intermediates on Fe-NG, as the free energy changes (ΔG) in these two elementary steps are nearly equivalent. Notably, the formation of HNO* exhibits a higher activation energy (Ea) compared to HNOH* formation. This study provides valuable insights into the C–N coupling reaction and the mechanism of amino acid synthesis on single-atom catalysts. Full article
(This article belongs to the Special Issue Sustainable Catalysis for Green Chemistry and Energy Transition)
Show Figures

Graphical abstract

Review

Jump to: Research

37 pages, 12778 KiB  
Review
A Review of the Application of Metal-Based Heterostructures in Lithium–Sulfur Batteries
by Yichao Luo, Zhen Zhang, Yaru Wang, Yalong Zheng, Xinyu Jiang, Yan Zhao, Yi Zhang, Xiang Liu, Zhoulu Wang and Baizeng Fang
Catalysts 2025, 15(2), 106; https://doi.org/10.3390/catal15020106 - 22 Jan 2025
Viewed by 531
Abstract
Lithium–sulfur (Li-S) batteries are recognized as a promising alternative in the energy storage domain due to their high theoretical energy density, environmental friendliness, and cost-effectiveness. However, challenges such as polysulfide dissolution, the low conductivity of sulfur, and limited cycling stability hinder their widespread [...] Read more.
Lithium–sulfur (Li-S) batteries are recognized as a promising alternative in the energy storage domain due to their high theoretical energy density, environmental friendliness, and cost-effectiveness. However, challenges such as polysulfide dissolution, the low conductivity of sulfur, and limited cycling stability hinder their widespread application. To address these issues, the incorporation of heterostructured metallic substrates into Li-S batteries has emerged as a pivotal strategy, enhancing electrochemical performance by facilitating better adsorption and catalysis. This review delineates the modifications made to the cathode and separator of Li-S batteries through metallic heterostructures. We categorize the heterostructures into three classifications: single metals and metal compounds, MXene materials paired with metal compounds, and heterostructures formed entirely of metal compounds. Each category is systematically examined for its contributions to the electrochemical behavior and efficiency of Li-S batteries. The performance of these heterostructures is evaluated in both the cathode and separator contexts, revealing significant improvements in lithium-ion conductivity and polysulfide retention. Our findings suggest that the strategic design of metallic heterostructures can not only mitigate the inherent limitations of Li-S batteries but also pave the way for the development of high-performance energy storage systems. Full article
(This article belongs to the Special Issue Sustainable Catalysis for Green Chemistry and Energy Transition)
Show Figures

Graphical abstract

Back to TopTop