Sustainable Catalysis for Green Chemistry and Energy Transition

Catalysis sits at the heart of sustainable development, and plays an instrumental role in addressing modern environmental challenges. This Special Issue of Catalysts, ‘Sustainable Catalysis for Green Chemistry and Energy Transition’, brings together a diverse range of studies that explore the critical role of catalytic processes in advancing green chemistry and clean energy systems. From smarter resource use to low-carbon industrial processes, the included studies reveal how an efficient catalytic system can reduce carbon footprints, improve energy efficiency, and accelerate the transition toward renewable resources [1,2,3].

One of the keys focuses of this Special Issue is the development of advanced catalytic materials that can operate under mild conditions, thereby improving reaction efficiency and minimizing waste. For instance, novel catalysts for hydrogen evolution and CO₂ conversion are some of the predominant drivers of clean energy research [4,5,6]. For instance, the use of metal–organic frameworks (MOFs) is an especially exciting area of research, as these frameworks have demonstrated impressive catalytic efficiencies that allow us to capture and reduce CO₂ more than 50% faster than traditional catalysts [7,8]. These technological advances bring us closer to carbon-neutral energy and provide viable alternatives to fossil fuels. Meanwhile, advances in electro- and photocatalysis are enabling the solar-driven and electrochemical processes used in the large-scale production of hydrogen from water, as well as other forms of energy storage [9].

Biocatalysis and biomass valorization are equally important for the transformation of sustainable feedstocks into valuable chemicals and fuels [10]. Enzyme-based catalysis has been widely shown to enhance the conversion of diverse-biomass feedstocks into biofuels and biochemicals, demonstrating that biocatalysis can boost resource efficiency while remaining aligned with green chemistry principles [11]. Additionally, this Special Issue highlights the integration of catalysis within a circular economy framework, focusing on the catalytic processes that enable waste recycling and valorization. For example, one study included in this Special Issue reports that a copper–molybdate catalyst efficiently esterifies biomass-derived levulinic acid into fuel-grade esters, showcasing how catalytic upgrades can turn agricultural residues into valuable biofuels.

Moreover, the use of computational catalysis and machine learning have become core tools in modern catalysis. Machine learning algorithms have proven to be a powerful tool in predicting catalytic activity and optimizing reaction conditions, allowing for researchers to design catalysts with enhanced efficiency and scalability [12]. These technologies, combined with traditional experimental methods, allow for researchers to develop novel catalytic systems that offer the potential for more sustainable and cost-effective chemical production.

The research presented in this Special Issue demonstrates the diverse role of catalysis in advancing sustainable practices. From the development of advanced catalytic materials and the integration of catalysis into circular economy frameworks to the application of computational tools in catalyst design, the included studies highlight the transformative potential of catalysis in addressing global environmental and energy challenges. As we move towards a low-carbon economy, these advances will be essential for meeting environmental targets and delivering lasting solutions.

The contributions in this Special Issue are diverse and significant. Akhtar and Zaman provide an overview of sustainable catalytic systems, emphasizing the role of advanced materials in improving energy efficiency and reducing carbon footprints [Contribution 1]. Steinmetz and Sémeril focus on confined catalysis using palladium complexes encapsulated in self-assembled capsules, improving the dimerization of vinyl arenes and presenting new methodologies for enhancing catalytic efficiency in sustainable chemical processes [Contribution 2]. Liu et al. introduce a highly efficient Cu-rich layered double-hydroxide catalyst for water–gas shift reactions, which represents a significant step forward in carbon capture and utilization technology [Contribution 3]. He et al. apply HT@NC/Pd catalysts in Suzuki coupling reactions, highlighting their potential in pharmaceutical synthesis while maintaining sustainability [Contribution 4]. Macherzyński et al. explore the precipitation of struvite from supernatants separated from enzymatically disintegrated sewage sludge, demonstrating an innovative method for phosphorus recovery and contributing to more sustainable waste management [Contribution 5]. Macherzyński also examine enzymatic disintegration in the methane fermentation processes of sewage sludge, offering insights into waste management and resource recovery [Contribution 6]. Ribeiro et al. explore the catalytic esterification of levulinic acid to methyl levulinate by using copper molybdate as a heterogeneous catalyst, achieving high conversion rates and demonstrating catalyst stability over multiple cycles. This study underscores copper molybdate’s potential as a sustainable and recyclable catalyst for biofuel additive synthesis, advancing green chemistry strategies for biomass valorization [Contribution 7]. Jin et al. focus on the introduction of secondary porosity in zeolites, revealing how this modification enhances their performance in catalytic reactions, particularly by improving both catalytic activity and selectivity [Contribution 8]. Zhou et al. discuss a piezoelectric-driven Fenton system based on bismuth ferrite nanosheets, showing how this novel system can degrade pollutants efficiently in aqueous environments, offering an exciting new approach to environmental remediation [Contribution 9]. Hu and Lin focus on the diastereoselective synthesis of spiro [4.5] decane derivatives through synergistic photocatalysis and organocatalysis, highlighting innovations in reaction selectivity [Contribution 10]. Tian et al. employ density functional theory (DFT) calculations to investigate the electrochemical reduction of nitric oxide (NO) to alanine using a single-atom FeN₄ catalyst supported on defective graphene. Their findings suggest that the FeN₄ site in the defective graphene matrix exhibits high catalytic activity and selectivity for the reduction of NO to alanine, offering insights into the design of efficient catalysts for nitrogen fixation processes [Contribution 11]. Barthos et al. review the catalytic aspects of liquid organic hydrogen carriers, focusing on their role in energy storage and conversion, which could serve as a bridge to a more sustainable hydrogen economy [Contribution 12]. Luo et al. focus on the use of metal-based heterostructures in lithium–sulfur batteries, showing how catalytic materials can enhance battery performance and contribute to cleaner energy storage solutions [Contribution 13]. Saber et al. explore the use of photocatalysis for water purification, focusing on designing effective catalysts based on explosive reactions for environmental remediation [Contribution 14]. Santoveña-Uribe et al. investigate the electro-oxidation of methanol using NiPd nanoelectrocatalysts, providing theoretical insights into the reaction mechanisms that can be used for cleaner energy conversion [Contribution 15]. Souza et al. explore the introduction of secondary porosity in zeolites to enhance cumene cracking performance, advancing the field of petrochemical catalysis [Contribution 16]. Akhtar et al. present a detailed study on catalytic fluorination, examining recent advances in fluorinating agents and their potential uses in synthetic chemistry, which are crucial for the production of specialty chemicals and pharmaceuticals [Contribution 17].

Collectively, these studies showcase the multifaceted uses of catalysis in the advancement of sustainable practices, from enhancing catalytic material design, integrating catalysis into circular economy frameworks, to leveraging computational tools and machine learning to design next-generation catalysts. As the transition to a low-carbon future continues, the advancements presented in this Special Issue will prove to be critical to achieving sustainability goals and providing long-term effective solutions to some of the most pressing environmental and energy challenges that we currently face.