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Advanced Catalysis for Energy and a Sustainable Environment

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A special issue of Catalysts (ISSN 2073-4344).

Deadline for manuscript submissions: 15 May 2026 | Viewed by 12477

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Dr. Khursheed B. Ansari

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Department of Chemical Engineering, College of Engineering, King Khalid University, Abha, Saudi Arabia
Interests: energy storage (supercapacitors); renewable energy; biomass to biofuels CO₂ capture; wastewater treatment; heterogeneous catalysis; adsorption

Special Issue Information

Dear Colleagues,

Catalysis has long played an important role in chemical, petrochemicals, and allied industries. However, its role has been escalated to the sustainable energy domain, with minimal environmental impact. This transformation has created opportunities for researchers/academics/scientists globally to design, develop, and test cost-effective catalysts. Catalysis advancements occupy a distinguished position within the realm of scientific solutions aimed at sustainable energy and promoting environmental conservation. Indeed, an efficient catalyst allows reactions under mild conditions (i.e., moderate or lower temperatures and pressures) and reduced energy consumption, operational costs, and greenhouse gas emissions.

Recent years have been characterized by considerable advancements in catalytic materials, including nanostructured, heteroatoms, 1D/2D/3D catalysts, and composite catalysts for enhancing reaction rates, product yield, selectivity, and long-term stability. Some areas for advanced catalysis include, but are not limited to, the following:

Hydrogen and Clean Fuels: Catalytic, photocatalytic, electrocatalytic, and decarbonization processes, among others;
Green Catalysis: Generation of energy or fuels using green catalysts, aqueous-phase catalysis, etc.;
Biomass Conversion: Conversion of renewable biomass into biofuels, biochemicals, and other compounds;
Minimizing Harmful Emissions: Catalysts to reduce harmful gases or CO₂ formation, CO₂ conversion into valuable chemicals and fuels, etc.;
Wastewater Treatment: Catalysts for wastewater treatment, dye degradation, metal treatment, chemical treatment, pollutant and contaminant removal from water, etc.;
Sustainable Catalysis: Biocatalysts, organo-catalysts, and rare earth-based catalysts to minimize toxicity and environmental risks.

Despite remarkable progress, advancements in catalytic technologies still need to be fully explored. Catalysts’ durability and recyclability in multiple processes also require further research. Thus, original research papers and reviews aligned with the above themes are welcome in this Special Issue of Catalysts.

Dr. Khursheed B. Ansari
Guest Editor

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Keywords

sustainable energy
environmental remediation
advanced catalytic materials
biomass conversion
CO₂ conversion
wastewater treatment
catalyst sustainability (durability/recyclability)

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Published Papers (10 papers)

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Research

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15 pages, 1956 KB

Open AccessArticle

Metal-Free h-BN/Carbon Nano-Onion Heterostructure Electrocatalyst with Enhanced Hydrogen Evolution Activity Under Acidic Media

by Shakeelur Raheman, Khursheed B. Ansari and Nilesh Salunke

Catalysts 2026, 16(4), 345; https://doi.org/10.3390/catal16040345 - 13 Apr 2026

Viewed by 309

Abstract

Developing effective metal-free electrocatalysts for acidic hydrogen evolution is challenging because both catalytic activity and electronic conductivity must be optimized simultaneously. Here, h-BN/carbon nano-onion (CNO) hybrid electrocatalysts were synthesized by integrating layered hexagonal boron nitride with conductive carbon nano-onions to generate accessible heterointerfaces for the hydrogen evolution reaction (HER). Structural characterization by XRD, SEM/TEM, and STEM-EDS confirmed intimate contact between h-BN sheets and quasi-spherical CNO domains. Similarly, XPS revealed B–N-rich frameworks with interfacial B–C/C–N surface environments and oxygen-associated defect sites. Among the prepared compositions, the h-BN/CNO20 eletrocatalyst exhibited the best apparent HER performance in 0.5 M H₂SO₄, delivering an overpotential of ~270 mV at 5 mA cm⁻² and a Tafel slope of 76 mV dec⁻¹, along with stable chronoamperometric behavior for 15 h. The improved electrocatalytic activity is due to the enhanced charge transport through the CNO network, suppression of h-BN restacking, increased exposure of interfacial sites, and charge redistribution across B–N/C heterojunctions. These findings identify h-BN/CNO20 as the optimum composition within this series and demonstrate that heterointerface engineering between boron nitride and curved graphitic nanocarbons is a promising strategy for developing metal-free HER electrocatalysts. However, further validation using a non-Pt counter electrode is necessary to confirm intrinsic catalytic activity. Full article

(This article belongs to the Special Issue Advanced Catalysis for Energy and a Sustainable Environment)

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33 pages, 6237 KB

Open AccessArticle

Sustainable Solar Mineralization of Polyvinylpyrrolidone via a Regenerable TiO₂/Cellulose–Activated Carbon Composite with Integrated Waste Reuse for Urea Oxidation

by Samar M. Mahgoub, Hossain ABM Sharif, Ahmed A. Allam, Abdelatty M. Radalla, Hussein Nassar H. Eweis, Hala Mohamed and Rehab Mahmoud

Catalysts 2026, 16(3), 213; https://doi.org/10.3390/catal16030213 - 28 Feb 2026

Viewed by 588

Abstract

The persistence of water-soluble polymers such as polyvinylpyrrolidone (PVP) in aquatic environments presents a major challenge for conventional wastewater treatment. Herein, a sunlight-active TiO₂/activated carbon (TiO₂/AC) composite fabricated via a simple physical mixing route is reported for the synergistic adsorption and photocatalytic mineralization of PVP K30. The optimal composite (2:1 weight ratio) exhibits a high surface area (412 m² g⁻¹) and an integrated anatase–carbon architecture. The process operates through a sequential “adsorb-and-shuttle” mechanism, whereby PVP is first concentrated on the composite in the dark (30.2% removal in 8 h) and subsequently degraded under solar irradiation. This dual function leads to 86.4% PVP removal and 72.1% total organic carbon (TOC) mineralization, demonstrating true polymer destruction rather than mere surface accumulation. The composite demonstrates robust performance in simulated wastewater, retaining over 68% PVP removal and 55% TOC mineralization in a complex matrix containing competing inorganic ions and natural organic matter. Spectroscopic and thermogravimetric analyses confirm PVP chain scission and near-complete removal of adsorbed residues. An optimized ethanol-washing protocol enables effective catalyst regeneration, with the composite retaining 85% of its initial activity after five cycles. A detailed techno-economic analysis confirms the economic viability of this regeneration strategy at industrial scales (>1000 kg/year), projecting cost savings exceeding 60% compared to fresh catalyst use. Importantly, the PVP-loaded spent TiO₂–AC was successfully repurposed as an electrocatalyst for the urea oxidation reaction, achieving a high current density of 163.7 mA cm⁻², which surpasses the performance of the pristine composite. The greenness of the overall process was validated using analytical eco-scale (ESA), method volume intensity (AMVI), and white analytical chemistry (WAC) metrics. Overall, this work presents a sustainable, solar-driven platform that advances a circular economy model, integrating effective polymer wastewater remediation with subsequent energy valorization of the spent material. Full article

(This article belongs to the Special Issue Advanced Catalysis for Energy and a Sustainable Environment)

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16 pages, 14762 KB

Open AccessArticle

Sutherlendia frutescence-Mediated CuNiO Nanocomposite: Effect of Varying Loadings on the Degradation of Pharmaceutical Pollutants and Antibacterial Efficiency

by Itumeleng Seete, Dineo A. Bopape, Louisa M. Mahlaule-Glory, Morongwa M. Mathipa and Nomso C. Hintsho-Mbita

Catalysts 2026, 16(2), 174; https://doi.org/10.3390/catal16020174 - 7 Feb 2026

Viewed by 644

Abstract

Water contamination with pharmaceuticals is a global challenge that affects both aquatic and human life. The presence of these pharmaceuticals has increased in recent years due to their high demand. In this study, varying compositions of Cu-NiO nanocomposites were synthesized using Sutherlandia frutescens plant extracts. The synthesized nanoparticles were characterized using UV–vis, FTIR, XRD, SEM, EDS and TGA. The photocatalytic activity of these materials was tested on SMX and CIP antibiotics. Furthermore, their antibacterial efficiency against Gram-negative and Gram-positive bacterial strains was investigated. XRD, through phase identification and SEM/EDS, confirmed the formation of nanocomposites with elements of Cu, O and Ni. The 15% CuNiO nanocomposite demonstrated the highest thermal stability with a minimal weight loss of 3%. The 15% CuNiO had the highest degradation efficiencies of 92% and 85% for SMX and CIP, respectively. The catalyst could be reusable for up to three trials with a 65% efficiency against CIP, while the photogenerated electrons (e⁻) were the most reactive species for the degradation of pharmaceuticals. Lastly, these materials were noted to have antibacterial efficiency against both Gram-negative and -positive strains, with the highest zone of inhibition against E. coli. This study has shown that novel green nanocomposites from S. frutescence can be used for targeting multiple pollutants simultaneously by degrading antibiotics efficiently and removing various bacterial strains. Full article

(This article belongs to the Special Issue Advanced Catalysis for Energy and a Sustainable Environment)

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30 pages, 6128 KB

Open AccessArticle

Sustainable Synthesis of Copper Oxide Nanoparticles: Data-Driven Photocatalysis, Pt-Free Hydrogen Production, and Antibacterial Assessment

by Umar Farooq, Mohammad Ehtisham Khan, Akbar Mohammad, Nazim Hasan, Abdullah Ali Alamri and Mukul Sharma

Catalysts 2025, 15(12), 1163; https://doi.org/10.3390/catal15121163 - 11 Dec 2025

Cited by 2 | Viewed by 1040

Abstract

This study reports the green synthesis of copper oxide nanoparticles (CuO NPs) using Oxystelma esculentum extract as a reducing and stabilizing agent. The state-of-the-art analysis confirmed their spherical morphology, with an average particle size ranging from 20 to 25 nm, while XRD indicated a crystalline structure consistent with the standard JCPDS card. The photocatalytic degradation of norfloxacin (NOR) was optimized using Response Surface Methodology (RSM), which identified the optimal conditions as a reaction time = 47.51 min, CuO-NPs dose = 48.46 mg, NOR dose = 35.90 ppm, and pH = 5.23. Under these optimized conditions, the CuO NPs achieved an initial degradation efficiency of 90%. In addition to photocatalytic degradation, the hydrogen (H₂) evolution performance of the CuO NPs was evaluated, yielding a H₂ production rate of 19.52 mmol g⁻¹ h⁻¹ under visible light. Moreover, the antimicrobial activity of the CuO NPs was assessed, showing significant antibacterial effects with inhibition zones of 8 mm and 9 mm against Klebsiella and Bacillus species. The CuO NPs also exhibited potent anticancer activity with an IC₅₀ value of 15.3 ± 1.40 μM against the HeLa cell line and notable antifungal activity with inhibition rates ranging from 70% to 90% against various fungal species. Full article

(This article belongs to the Special Issue Advanced Catalysis for Energy and a Sustainable Environment)

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21 pages, 1775 KB

Open AccessArticle

Solar-Driven Photocatalytic Degradation of Clothianidin Using Green NiO-GO Composite

by Atta ul Haq, Rageh K. Hussein, Sandeep Panchal, Muhammad Saeed, Hafiz Muhammad Abubakar and Sharif Abu Alrub

Catalysts 2025, 15(11), 1078; https://doi.org/10.3390/catal15111078 - 13 Nov 2025

Cited by 1 | Viewed by 1068

Abstract

The extensive use of clothianidin pesticide poses significant risks to non-target organisms and water resources. In this study, NiO-GO is reported as an effective photocatalyst for the degradation of clothianidin in aqueous medium. Nickel oxide (NiO) nanoparticles were synthesized by a green method using Pisum sativum (pea) peel extract, which serves as a natural reducing and stabilizing agent, and subsequently integrated with graphene oxide (GO) through ultrasonication to form a NiO-GO composite in a 1:1 ratio. The materials were characterized by various techniques. Photocatalytic degradation of clothianidin under natural sunlight was systematically investigated, assessing the effects of pH, catalyst dosage, initial pollutant concentration, and agitation speed. The NiO-GO composite exhibited superior photocatalytic performance (96% degradation at pH 3 within 60 min) compared to pristine NiO and GO, with a rate constant 4.4 and 3.3 times higher, respectively. The as-prepared NiO-GO photocatalyst exhibited nearly consistent degradation efficiency over two successive cycles, demonstrating its excellent structural stability and reusability. The enhanced performance is attributed to improved charge separation afforded by GO support. This low-cost, green, and efficient NiO-GO photocatalyst demonstrates promising potential for sustainable pesticide remediation in aqueous environments. Full article

(This article belongs to the Special Issue Advanced Catalysis for Energy and a Sustainable Environment)

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18 pages, 2630 KB

Open AccessArticle

Synergistic Integration of TiO₂ Nanorods with Carbon Cloth for Enhanced Photocatalytic Hydrogen Evolution and Wastewater Remediation

by Shakeelur Raheman AR, Khursheed B. Ansari, Sang Joon Lee and Nilesh Salunke

Catalysts 2025, 15(10), 961; https://doi.org/10.3390/catal15100961 - 7 Oct 2025

Cited by 2 | Viewed by 1216

Abstract

The immobilization of titanium dioxide (TiO₂) nanostructures on conductive supports offers a promising strategy to overcome the intrinsic limitations of a wide band gap, poor visible-light absorption, and rapid charge recombination in photocatalysis. Herein, a rutile TiO₂ nanorods (TiO₂NRs) array was directly grown on carbon cloth (CC) via a hydrothermal method by using titanium tetrachloride (TiCl₄) seed solutions of 0.1, 0.3, and 0.5 M, designated as TiO₂NR0.1/CC, TiO₂NR0.3/CC, and TiO₂NR0.5/CC, respectively. Structural analysis confirmed that the TiO₂ NRs array is vertically aligned, and phase=pure rutile NRs strongly adhered to CC. The optical characterization revealed broadened absorption in the visible wavelength region and progressive band gap narrowing with the increasing seeding concentration. Photoluminescence (PL) spectra showed pronounced quenching in the fabricated TiO₂NRs/CC samples, especially with TiO₂NR0.3/CC exhibiting the lowest PL intensity, indicating suppressed charge recombination. Electrochemical impedance spectroscopy further demonstrated reduced charge transfer resistance, and TiO₂NR0.3/CC achieved the most efficient electron transport kinetics. Photocatalytic tests at λ ≥ 400 nm irradiation confirmed the enhanced hydrogen evolution performance of TiO₂NR0.3/CC. The hydrogen yield of 2.66 mmol h⁻¹ g⁻¹ of TiO₂NR0.3/CC was 4.03-fold higher than that of TiO₂NRs (0.66 mmol h⁻¹ g⁻¹), along with excellent cyclic stability across three runs. Additionally, TiO₂NR0.3/CC achieved 90.2% degradation of methylene blue within 60 min, with a kinetic constant of 0.0332 min⁻¹ and minimal activity loss after three cycles. These results highlight the synergistic integration of TiO₂ NRs with CC in achieving a durable, recyclable, and efficient photocatalytic platform for sustainable hydrogen generation and wastewater remediation. Full article

(This article belongs to the Special Issue Advanced Catalysis for Energy and a Sustainable Environment)

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14 pages, 5454 KB

Open AccessArticle

The Role of the Transition Metal in M₂P (M = Fe, Co, Ni) Phosphides for Methane Activation and C–C Coupling Selectivity

by Abdulrahman Almithn

Catalysts 2025, 15(10), 954; https://doi.org/10.3390/catal15100954 - 5 Oct 2025

Viewed by 1015

Abstract

Achieving selective, direct conversion of methane into value-added chemicals requires catalysts that can navigate the intrinsic trade-off between C–H bond activation and over-dehydrogenation. Transition metal phosphides (TMPs) have emerged as promising catalysts that can tune this selectivity. This work utilizes density functional theory (DFT) to systematically assess how the transition metal’s identity (M = Fe, Co, Ni) in isostructural M₂P phosphides governs this balance. The findings reveal that the high reactivity of Fe₂P and Co₂P, which facilitates initial methane activation, also promotes facile deep dehydrogenation pathways to coke precursors like CH*. In stark contrast, Ni₂P exhibits a moderated reactivity that kinetically hinders CH* formation while simultaneously exhibiting the lowest activation barrier for the C–C coupling of CH₂* intermediates to form ethylene. This revealed trade-off between the high reactivity of Fe/Co phosphides and the high selectivity of Ni₂P offers a guiding principle for the rational design of advanced bimetallic phosphides for efficient methane upgrading. Full article

(This article belongs to the Special Issue Advanced Catalysis for Energy and a Sustainable Environment)

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Review

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35 pages, 2003 KB

Open AccessReview

Nano–Bio Hybrid Catalysts: Enzyme–Nanomaterial Interfaces for Sustainable Energy Conversion

by Ghazala Muteeb, Youssef Basem, Abdel Rahman Alaa, Mahmoud Hassan Ismail, Mohammad Aatif, Mohd Farhan, Sheeba Kumari and Doaa S. R. Khafaga

Catalysts 2026, 16(4), 367; https://doi.org/10.3390/catal16040367 - 19 Apr 2026

Viewed by 404

Abstract

Nano–bio hybrid catalysts have emerged as a promising platform for sustainable energy conversion by integrating the high selectivity of enzymes with the structural robustness and conductivity of nanomaterials. In recent years, the growing demand for clean energy technologies has driven the development of biohybrid systems capable of efficient electron transfer, enhanced catalytic activity, and improved operational stability. This review comprehensively discusses the design principles, mechanistic foundations, and performance metrics of enzyme–nanomaterial interfaces for energy-related applications. We first outline the fundamentals of enzymatic redox catalysis and the limitations of free enzymes in practical systems. Subsequently, we examine the functional roles of nanomaterials including carbon-based materials, metal and metal oxide nanoparticles, and two-dimensional platforms such as MXenes in facilitating enzyme immobilization and promoting direct or mediated electron transfer. Special emphasis is placed on engineering strategies at the bio–nano interface, including immobilization techniques, surface functionalization, and structural tuning to optimize catalytic efficiency. The review further highlights representative hybrid systems based on laccase, glucose oxidase, peroxidase, and hydrogenase enzymes, and evaluates their applications in biofuel cells, solar–bio hybrid systems, green oxidation reactions, and self-powered biosystems. Stability challenges, deactivation mechanisms, and enhancement strategies such as polymer coatings, cross-linking, and nanoconfinement are critically analyzed. Finally, emerging directions including artificial enzymes, AI-guided catalyst design, and self-healing bioelectrodes are discussed to provide a forward-looking perspective on next-generation sustainable bioelectrocatalytic systems. Full article

(This article belongs to the Special Issue Advanced Catalysis for Energy and a Sustainable Environment)

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24 pages, 2813 KB

Open AccessReview

Eco-Friendly Biocatalysts: Laccase Applications, Innovations, and Future Directions in Environmental Remediation

by Hina Younus, Masood Alam Khan, Arif Khan and Fahad A. Alhumaydhi

Catalysts 2025, 15(10), 921; https://doi.org/10.3390/catal15100921 - 26 Sep 2025

Cited by 11 | Viewed by 2871

Abstract

Laccases, a class of multicopper oxidases found in diverse biological sources, have emerged as key green biocatalysts with significant potential for eco-friendly pollutant degradation. Their ability to drive electron transfer reactions using oxygen, converting pollutants into less harmful products, positions laccases as promising tools for scalable and sustainable treatment of wastewater, soil, and air pollution. This review explores laccase from a translational perspective, tracing its journey from laboratory discovery to real-world applications. Emphasis is placed on recent advances in production optimization, immobilization strategies, and nanotechnology-enabled enhancements that have improved enzyme stability, reusability, and catalytic efficiency under complex field conditions. Applications are critically discussed for both traditional pollutants such as synthetic dyes, phenolics, and pesticides and emerging contaminants, including endocrine-disrupting chemicals, pharmaceuticals, personal care products, microplastic additives, and PFAS. Special attention is given to hybrid systems integrating laccase with advanced oxidation processes, bioelectrochemical systems, and renewable energy-driven reactors to achieve near-complete pollutant mineralization. Challenges such as cost–benefit limitations, limited substrate range without mediators, and regulatory hurdles are evaluated alongside solutions including protein engineering, mediator-free laccase variants, and continuous-flow bioreactors. By consolidating recent mechanistic insights, this study underscores the translational pathways of laccase, highlighting its potential as a cornerstone of next-generation, scalable, and eco-friendly remediation technologies aligned with circular bioeconomy and low-carbon initiatives. Full article

(This article belongs to the Special Issue Advanced Catalysis for Energy and a Sustainable Environment)

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23 pages, 3019 KB

Open AccessFeature PaperEditor’s ChoiceReview

Phase-Transfer Catalysis for Fuel Desulfurization

by Xun Zhang and Rui Wang

Catalysts 2025, 15(8), 724; https://doi.org/10.3390/catal15080724 - 30 Jul 2025

Cited by 3 | Viewed by 2015

Abstract

This review surveys recent advances and emerging prospects in phase-transfer catalysis (PTC) for fuel desulfurization. In response to increasingly stringent environmental regulations, the removal of sulfur from transportation fuels has become imperative for curbing SO_x emissions. Conventional hydrodesulfurization (HDS) operates under severe temperature–pressure conditions and displays limited efficacy toward sterically hindered thiophenic compounds, motivating the exploration of non-hydrogen routes such as oxidative desulfurization (ODS). Within ODS, PTC offers distinctive benefits by shuttling reactants across immiscible phases, thereby enhancing reaction rates and selectivity. In particular, PTC enables efficient migration of organosulfur substrates from the hydrocarbon matrix into an aqueous phase where they are oxidized and subsequently extracted. The review first summarizes the deployment of classic PTC systems—quaternary ammonium salts, crown ethers, and related agents—in ODS operations and then delineates the underlying phase-transfer mechanisms, encompassing reaction-controlled, thermally triggered, photo-responsive, and pH-sensitive cycles. Attention is next directed to a new generation of catalysts, including quaternary-ammonium polyoxometalates, imidazolium-substituted polyoxometalates, and ionic-liquid-based hybrids. Their tailored architectures, catalytic performance, and mechanistic attributes are analyzed comprehensively. By incorporating multifunctional supports or rational structural modifications, these systems deliver superior desulfurization efficiency, product selectivity, and recyclability. Despite such progress, commercial deployment is hindered by the following outstanding issues: long-term catalyst durability, continuous-flow reactor design, and full life-cycle cost optimization. Future research should, therefore, focus on elucidating structure–performance relationships, translating batch protocols into robust continuous processes, and performing rigorous environmental and techno-economic assessments to accelerate the industrial adoption of PTC-enabled desulfurization. Full article

(This article belongs to the Special Issue Advanced Catalysis for Energy and a Sustainable Environment)

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