Atomic engineering of electronic metal-support interaction via Si-O-Co bonding for sustainable catalytic ozone purification.

A bioelectrocatalytic glucose oxidation cascade for energy-efficient electrocatalysis applications.

This study investigates the microwave-assisted catalytic pyrolysis of polyetherimide (PEI). Activated carbon (AC), petroleum coke, graphite, silicon carbide, and AC-supported oxides (Fe₃O₄, Fe₂O₃, Al₂O₃, and ZnO) were chosen as microwave absorbers and/or catalysts to determine the impact of microwave absorber/catalyst type on the decomposition. Experiments were conducted at a microwave power of 400 W, which corresponded to an average bulk temperature of 400 °C, for 10 min in an argon atmosphere. No PEI remained intact after the treatments and the products were in the gas, liquid, wax, and solid phases, with the gas phase being the dominant fraction. Decomposition with the AC–Fe₃O₄ catalyst resulted in the highest gas yield and hydrogen production of up to 20 mmol g⁻¹ PEI, corresponding to 76% of the hydrogen content of PEI. Decomposition without metal oxides produced more wax, whereas metal oxides shifted the product distribution toward gases and/or aromatic condensates (notably toluene), depending on the oxide. The catalysts were deactivated by carbon deposition, degradation of the carbon support and/or reduction of metal oxide species. These results demonstrate that microwave-assisted catalytic pyrolysis of PEI enables hydrogen generation and the recovery of aromatic hydrocarbons (e.g., toluene, styrene, and naphthalene), highlighting its potential as a chemical recycling route for high-performance thermoplastics. • Microwave-assisted PEI decomposition achieved complete polymer conversion. • AC–Fe₃O₄ combined microwave absorption with high H₂ yield from PEI. • Catalyst choice controlled H₂ and aromatic recovery from PEI decomposition.

In the context of directed motion or self-propelled catalytic swimmers, a central open question is whether Janus-type chemical asymmetry is essential for inducing self-propulsion. However, to tackle this unresolved puzzle, we demonstrate that anisotropic catalytic colloids, possessing chemically homogeneous surface activity but asymmetric geometry, exhibit sustained non-equilibrium propulsion, biasing Brownian dynamics toward directed motion. Self-propelled anisotropic colloids provide a versatile platform for investigating non-equilibrium transport and collective dynamics in active matter systems. Shape anisotropy introduces additional degrees of freedom that strongly influence propulsion mechanisms and self-assembly in bulk suspensions. Here, we report the synthesis of anisotropic platinum-coated polystyrene (PS-Pt) particles with an acorn-like geometry (1μm) using a temperature-induced deformation approach. We examine the propulsion and collective behavior of these acorn-shaped particles in their monomeric, dimeric, and trimeric forms whose pronounced geometric asymmetry distinguishes them from Janus colloids. Self-propulsion is driven by the asymmetric catalytic decomposition of hydrogen peroxide on the platinum-coated region, resulting in sustained translational motion. The curvature anisotropy of the acorn geometry generates uneven solute gradients and induces motion. Statistical analyses based on Gaussian and non-Gaussian displacement distributions confirm the active nature of the observed transport and elucidate the flow behavior of both individual particles and self-assembled structures.

The catalytic promotion effect of 4,4'-bipyridine 1,1'-dioxide (BpyNO) on the thermal decomposition of ammonium perchlorate (AP) is investigated using combined thermal analysis and neural network potential (NNP)-based molecular dynamics simulations. A small addition of BpyNO (5 wt%) reduces the main decomposition peak of AP by approximately 100 K and increases the total heat release by 2.8-fold (1338 vs. 479 J g-1). The apparent activation energy is significantly lowered from 150.5 to 109.9 kJ mol-1, indicating an accelerated decomposition process. NNP simulations reveal a distinct interfacial decomposition mechanism in the AP/BpyNO system, in which oxygen transfer from ClO4 to the organic framework dominates the early-stage reactions, in contrast to the proton-transfer-dominated pathway in pure AP. The catalytic interface promotes rapid oxygen migration from ClO4, hydrogen abstraction, and early disruption of the AP crystal lattice. These synergistic effects result in enhanced reaction kinetics and a fundamentally different decomposition pathway, consistent with comparative simulations against structurally related bipyridine analogues. The findings provide atomic-level insight into organocatalytic regulation of oxidizer decomposition and offer a mechanistic foundation for designing safer and more efficient composite energetic materials.

Direct catalytic decomposition is one of the green methods for N2O elimination. However, the activity of catalyst is limited by the slow oxygen desorption rate and the unsatisfactory electronic structure of the active site. In this work, Fe species were introduced into Co/β catalyst to regulate the microstructure of Co active sites and oxygen desorption pathways. A combination of characterization techniques such as XRD, TEM, XPS, DR UV-Vis, etc were employed to elucidate the nature of Co and Fe species in the catalysts. The results demonstrated that the introduction of Fe not only reduced the particle size of CoOx species, but also effectively improved the reducibility and deoxygenation capacity of the catalysts. Moreover, in-situ FT-IR and N2O-TPD experiments revealed that the oxidization of N2O to NO and the decomposition of nitrate species were significantly enhanced over Fe doped Co/β catalyst, thereby facilitated the NO-assisted oxygen desorption process during N2O decomposition. As a result, the N2O conversion at 420 °C was elevated from 85% of Co/β catalyst to 100% of 1.0Fe-Co/β catalyst, which is much higher than the 22% conversion achieved over Fe/β catalyst. This work could provide the reference for the design of N2O decomposition catalysts and understanding of catalytic reaction mechanism.

Elucidating the role of a triazine-rich COF shell in stabilizing UiO-66-NH₂ for catalytic ozone decomposition.

Thiophenol (TP), a high-toxicity compound prevalent in pharmaceuticals and industrial products, necessitates efficient catalytic decomposition methods. While two-dimensional MoS2offers a promising large surface area for catalysis, its inert basal plane and weak TP adsorption energy (1.60 eV) limit its efficacy. To address this, we designed a single-atom catalyst via transition metal (TM) doping of MoS2. Using first-principles calculations, we demonstrate that TM doping drastically alters the local charge density, significantly enhancing adsorption and catalytic activity for TP decomposition into H2and H2S. Our results identify Ni-doped MoS2as kinetically favored and Co-doped MoS2as thermodynamically favored for the reaction. Furthermore, we evaluated four machine learning models (linear regression, K-nearest neighbors, random forest, and gradient boosting regression trees) for predicting activation barriers and reaction energies. Random forest regression emerged as the most accurate predictor. This work provides a theoretical framework for eliminating toxic organic pollutants and establishes a machine-learning-guided strategy for accelerating catalyst screening.

Active hydrogen (*H)-mediated catalytic decomposition over layered double hydroxides (LDHs) offers an attractive approach to ozone (O3) elimination in humid environments. However, their catalytic performance still seriously suffers from the insufficient ability for direct H2O activation, which restricts the replenishment of consumed surface *H and causes a potential competitive effect. Herein, a NiFe2O4-engineered NiFe-LDH catalyst with separated reactive sites was developed for room-temperature O3 removal, where NiFe2O4 acts as a hydrogen pump for H generation, and NiFe-LDH for O3 conversion. Results reveal that the NiFe2O4/NiFe-LDH composite catalyst exhibits significantly enhanced catalytic activity and durability, achieving 99% of O3 decomposition under 70% relative humidity at 25 °C with a reaction rate of 1319 μmol·g-1·h-1, which is 4.6 times that of pure NiFe-LDH. Experimental and density functional theory calculations demonstrate that H is efficiently generated from adsorbed H2O on Fe sites of NiFe2O4 and subsequently transfer to the surface of NiFe-LDH for replenishing the consumed *H sites. This configuration weakens competitive adsorption and preferentially triggers a cross-interface hydrogen spillover pathway, which enables highly efficient and robust O3 decomposition under harsh conditions. This work provides a novel and promising hydrogen spillover strategy through spatially separated active sites for boosting the level of O3 purification.

Ammonia is emerging as a carbon-free hydrogen carrierowing to its high hydrogen density, established storage infrastructure, and compatibility with existing energy carriers. Nevertheless, the efficient release of hydrogen through ammonia decomposition at low temperatures remains kinetically demanding. This review provides a comprehensive overview of recent advances in nickel-based catalysis for ammonia decomposition, emphasizing the interplay between catalyst design, mechanistic understanding, and performance optimization guided by the Sabatier principle. The discussion highlights how basic and defect-rich oxide supports (CeO2, La2O3, Gd-CeO2) enhance Ni dispersion and electronic interactions, promoting activity rivaling that of noble metals. The incorporation of rare-earth and alkaline-earth promoters (Ce, La, Mg) improves low- and high-temperature stability, while bimetallic systems such as Ni-Co and Ni-Fe alloys extend the operational temperature window and activity range through synergistic effects. Emerging insights from atomic-scale catalysts, including single Ni sites on reducible oxides, reveal pathways to lower activation barriers and enable ammonia decomposition near 300°C. Collectively, this review consolidates mechanistic advances and engineering strategies that unify surface science, materials chemistry, and reactor design, providing a framework for developing cost-effective, durable, and low-temperature Ni-based catalysts for efficient hydrogen generation from ammonia.

Catalytic ammonia decomposition: cobalt–nickel molar ratio effect on hydrogen production

Catalytic thermal decomposition of residual solvent on ZnO promotes defect-driven visible-light photocatalysis: Mechanistic insights from multiscale spectroscopy

The role of induction heating in catalytic methane decomposition over Fe/Al2O3

Preparation of Pd/Al2O3 catalyst and its toluene catalytic decomposition: optimization of preparation conditions and performance

The feasibility of combining focused ultrasound and copper-cystine biohybrid for diabetic wound healing.

This study focuses on the catalytic performance of Ni1-xCuxCo2O4 (x = 0.00-1.00) spinel oxides for the direct decomposition of nitrous oxide (N2O), a potent greenhouse gas. Ni-Cu-Co spinels were synthesized via controlled precipitation and characterized using X-ray diffraction, Brunauer-Emmett-Teller analysis, X-ray photoelectron spectroscopy, and H2 temperature-programmed reduction to elucidate the relationship between catalyst composition, catalyst structure, and catalytic activity. Catalytic tests were conducted under 200 ppm of N2O, 10% O2, and N2 balance with and without water vapor. Results revealed that partial substitution of Ni by Cu significantly modifies redox properties and oxygen vacancy concentration, thereby enhancing N2O conversion. Among the tested compositions, Ni0.75Cu0.25Co2O4 exhibits the highest activity, achieving nearly complete N2O decomposition at ~ 400 °C. Mechanistic insights suggest that Co2⁺-oxygen-vacancy pairs are the primary active sites, whereas Ni and Cu modulate electronic structures and oxygen mobility.

This study presents a detailed mechanistic investigation of the photocatalytic decomposition of different aldehydes via various Norrish reaction pathways and their subsequent role in the carbonylation of hydrocarbons, particularly toluene, using [Rh(PMe3)2(Cl)(CO)] as a catalyst. Utilizing 1H NMR spectroscopy, we quantitatively analysed the kinetics of the reaction network, focusing on the formation of key products such as alkanes and alkenes. The results reveal multiple well-explainable structure-property relationships for different aldehyde structures. In addition, the presence of [Rh(PMe3)2(Cl)(CO)] significantly suppresses the decomposition rates, suggesting intersystem crossing between photoactivated aldehydes and the Rh complex, potentially reducing the aldehyde's excited state lifetime. Furthermore, we explored the structural characterization of Rh-phosphine complexes formed during the reaction, though the exact structures remain elusive.

Catalytic methane decomposition represents a significant pathway for clean hydrogen production, with carbon nanomaterials offering substantial application prospects and economic value. This study innovatively employs an inverse-structured nickel foam (NF) catalyst for methane decomposition. Through an in-situ calcination-reduction process, a nano-oxide/Ni interface was constructed on the NF surface, effectively addressing metal sintering issues caused by localized overheating in conventional catalysts. Experimental results identify 650 °C as the optimal temperature. Raman spectroscopy confirms that carbon materials produced at this temperature exhibit moderate graphitization. Thermogravimetric analysis demonstrates excellent thermal stability (oxidation range: 538–698 °C) and high carbon yield (weight loss: 92%). Furthermore, the as-prepared carbon materials eliminate the need for complex purification. When directly applied as cathodes in zinc-ion batteries, electrochemical testing reveals a charge transfer resistance of 125 Ω—significantly lower than acid-washed samples (400 Ω)—indicating superior interfacial electron transport. Cyclic voltammetry shows high redox activity, validating the feasibility of integrated hydrogen production and energy storage using carbon materials.

The increasing demand for sustainable energy has accelerated the development of green hydrogen production technologies. Among these, the catalytic decomposition of ammonia stands out because of its efficient storage and transportation as well as its compatibility with existing infrastructure. Nevertheless, challenges in enhancing the reaction performance still hinder its large-scale implementation. To address these limitations and optimize the process, this work presents the development of a deep-learning-based artificial neural network to model ammonia conversion as a function of operating conditions and catalyst composition encoded directly into the network. The final model designed significantly outperformed traditional machine learning techniques and the smaller architectures tested. Deep learning was fundamental for achieving the lowest predictive errors (RMSE = 10.06 ppm and MAE = 7.98 ppm) and minimizing the difference between training and validation errors, indicating a high degree of stability and generalization. A comprehensive sensitivity analysis was also conducted and aligned with literature findings, revealing the model's capacity to capture complex physicochemical patterns. Finally, validation on external data further confirmed its generalization capabilities. To the best of our knowledge, this is the first study to implement deep neural networks for modeling the catalytic decomposition of ammonia, including catalyst compositional features, while also contributing to the broader, still-emerging application of deep learning in catalytic systems.

For the first time, the experimental feasibility of catalytic methane decomposition (CDM) using magnetically heated catalysts is demonstrated. Magnetic nanoparticles made of iron, nickel, and cobalt alloys were tested for catalytic activity, revealing two distinct carbon formation mechanisms depending on the reaction temperature. Specifically, Ni-Cr-Co and Fe-Ni-Co alloy nanoparticles, as well as Co nanoparticles, were evaluated under magnetic induction heating in the 450–650 °C range. Fe-Ni-Co alloy nanoparticles exhibited the highest stability and CH 4 conversion, reaching >40% at 650 °C. Kinetic studies of the Fe-Ni-Co catalyst revealed no deactivation after 10 h of operation. The magnetic heating regime was shown to be a key factor in catalyst stability, suggesting a unique heat and mass transfer mechanism under magnetic induction heating conditions. The carbon products were analyzed using thermogravimetric analysis, Raman spectroscopy, and electron microscopy. The results revealed that higher operating temperatures favor the formation of less defective graphitic carbon structures. Meanwhile carbon nanotubes, carbon nanofibers, and amorphous carbon are predominantly form at temperatures below 550 °C. Thermogravimetric and Raman analyses confirmed a clear dependence between reaction temperature and the rate of multiwalled carbon nanotube formation. Magnetic induction heating was shown to be a promising approach for catalytic methane decomposition. The use of magnetic heating opens new possibilities for the methane and biogas processing electrification, enabling the production of valuable nanostructured carbon and potentially lowering the cost of bio-based green hydrogen production. • Catalytic methane decomposition was experimentally demonstrated for the first time using magnetically heated catalysts; • Highest methane conversion [41%] and weight-time yield [0.6 g c ∙g cat − 1∙h −1 ] were detected under 1 bar CH 4 atmosphere over Fe-Ni-Co alloy nanoparticles in alternating magnetic field (61 mT, 234 kHz) • Production of two different types of carbon – nano-structured and encapsulating was detected over the Fe-Co-Ni magnetically heated catalysts with ratio of structured carbon increased at in a temperature range 450–600 °C