Search Results (3,649)

A series of Cu-MnO_x/GF catalytic electrodes, with graphite felt (GF) pretreated via microwave modification as the catalyst carrier, were prepared under various hydrothermal conditions and characterized using X-ray Diffraction (XRD), Scanning Electron Microscope (SEM), X-ray photoelectron spectroscopy (XPS), N₂ adsorption–desorption, and Raman spectroscopy. The catalytic oxidation activity of catalytic Cu-MnO_x/GF electrodes toward toluene was evaluated in an all-solid-state electrocatalytic device under mild operating conditions. The evaluation results demonstrated that the microwave-modified catalytic electrode exhibited high electrocatalytic activity toward toluene oxidation, with Cu-MnO_x/700W-GF exhibiting significantly higher catalytic activity, indicating that an increase in catalyst loading capacity can promote the removal of toluene. Only CO₂ and CO were detected, with no other intermediates observed in the reaction process. Moreover, the catalytic effect was significantly affected by the relative humidity. The catalytic oxidation of toluene can be fully realized under a certain humidity, indicating that the conversion of H₂O to strongly oxidizing ·OH on the catalytic electrode is a key step in this reaction. Full article

In this study, we present a comprehensive theoretical analysis of modifications in the physical and chemical properties of MoSe₂ upon the introduction of substitutional transition metal impurities, specifically, Ti, V, Cr, Fe, Co, Ni, Cu, W, Pd, and Pt. Wet systematically calculated the adsorption enthalpies for various representative analytes, including O₂, H₂, CO, CO₂, H₂O, NO₂, formaldehyde, and ethanol, and further evaluated their free energies across a range of temperatures. By employing the formula for probabilities, we accounted for the competition among molecules for active adsorption sites during simultaneous adsorption events. Our findings underscore the importance of integrating temperature effects and competitive adsorption dynamics to predict the performance of highly selective sensors accurately. Additionally, we investigated the influence of temperature and analyte concentration on sensor performance by analyzing the saturation of active sites for specific scenarios using Langmuir sorption theory. Building on our calculated adsorption energies, we screened the catalytic potential of doped MoSe₂ for CO₂-to-methanol conversion reactions. This paper also examines the correlations between the electronic structure of active sites and their associated sensing and catalytic capabilities, offering insights that can inform the design of advanced materials for sensors and catalytic applications. Full article

The efficient recovery of rhenium (Re), a critical metal in high-tech industries, is essential to address its growing demand and reduce reliance on primary mining. In this study, we developed novel anion-exchange resins for the selective adsorption and recovery of Re(VII) ions from acidic solutions, simulating industrial by-products. The resins were synthesized from a vinylbenzyl chloride-co-divinylbenzene copolymer modified with aliphatic, heterocyclic, and aromatic weakly basic amines, selected from among bis(3-aminopropyl)amine (BAPA), 1-(2-pyrimidinyl)piperazine (PIP), thiosemicarbazide (TSC), 2-amino-3-hydroxypyridine (AHP), 1-(2-hydroxyethyl)piperazine (HEP), 4-amino-2,6-dihydroxypyrimidine (AHPI), and 2-thiazolamine (TA). The adsorption of Re on BAPA, PIP, and HEP resins obeyed the Langmuir model, and the resins exhibited high adsorption capacities, with maximum values reaching 435.4 mg Re g⁻¹ at pH 6. Furthermore, strong selectivity for ReO₄⁻ ions over competing species, including Mo, Cu, and V, was noted in solutions simulating the leachates of the by-products of Cu-Mo ores. Additionally, complete elution of Re was possible. The developed resins turned out to be highly suitable for the continuous-flow-mode adsorption of ReO₄⁻, revealing outstanding adsorption capacities before reaching column breakthrough. In this context, the novel anion-exchange resins developed offer a reference for further Re recovery strategies. Full article

This paper discusses the integrated technology of CO₂ adsorption and catalysis, which combines adsorption and catalytic conversion, simplifies the traditional process, reduces energy consumption, and improves efficiency. The traditional carbon capture technology has the problems of high energy consumption, equipment corrosion, and absorbent loss, while the integrated technology realizes the adsorption, conversion, and catalyst regeneration of CO₂ in a single reaction system, avoiding complex desorption steps. Through micropore confinement and surface electron transfer mechanism, the technology improves the reactant concentration and mass transfer efficiency, reduces the activation energy, and realizes the low-temperature and high-efficiency conversion of CO₂. In terms of materials, MOF-based composites, alkali metal modified oxides, and carbon-based hybrid materials show excellent performance, helping to efficiently adsorb and transform CO₂. However, the design and engineering of reactors still face challenges, such as the development of new moving bed reactors. This technology provides a new idea for CO₂ capture and resource utilization and has important environmental significance and broad application prospects. Full article

Oil palm kernel shell is an abundant agricultural waste generated by the palm oil industry. To achieve sustainable use of this waste, oil palm kernel shells were converted into valuable resources as active biocarbons. A two-stage preparation method involving N₂ pyrolysis, followed by CO₂ activation, was used to produce the active biocarbon. The optimum pyrolysis conditions that produced the largest BET surface area of 519.1 m²/g were a temperature of 600 °C, a hold time of 2 h, a nitrogen flow rate of 150 cm³/min, and a heating rate of 10 °C/min. The optimum activation conditions to prepare the active biocarbon with the largest micropore surface area or the best micropore/BET surface area combination were a temperature of 950 °C, a CO₂ flow rate of 300 cm³/min, a heating rate of 10 °C/min, and a hold time of 3 h, yielding BET and micropore surface areas of 1232.3 and 941.0 m²/g, respectively, and consisting of 76.36% of micropores for the experimental optimisation technique adopted here. This study underscores the importance of optimising both the pyrolysis and activation conditions to produce an active biocarbon with a maximum micropore surface area for gaseous adsorption applications, especially to capture CO₂ greenhouse gas, to mitigate global warming and climate change. Such a comprehensive and detailed study on the conversion of oil palm kernel shell into active biocarbon is lacking in the open literature. The research results provide a practical blueprint on the process parameters and technical know-how for the industrial production of highly microporous active biocarbons prepared from oil palm kernel shells. Full article

Although concentrated solar power (CSP) coupled with calcium looping (CaL) offers a promising avenue for efficient thermal chemical energy storage, calcium-based sorbents suffer from accelerated structural degradation and decreased CO₂ capture capacity during multiple cycles. This study used Density Functional Theory (DFT) calculations to investigate the mechanism by which Mg and Ni doping improves the adsorption/desorption performance of CaO. The DFT results indicate that Mg and Ni doping can effectively reduce the formation energy of oxygen vacancies on the CaO surface. Mg–Ni co-doping exhibits a significant synergistic effect, with the formation energy of oxygen vacancies reduced to 5.072 eV. Meanwhile, the O²⁻ diffusion energy barrier in the co-doped system was reduced to 2.692 eV, significantly improving the ion transport efficiency. In terms of CO₂ adsorption, Mg and Ni co-doping enhances the interaction between surface O atoms and CO₂, increasing the adsorption energy to −1.703 eV and forming a more stable CO₃²⁻ structure. For the desorption process, Mg and Ni co-doping restructured the CaCO₃ surface structure, reducing the CO₂ desorption energy barrier to 3.922 eV and significantly promoting carbonate decomposition. This work reveals, at the molecular level, how Mg and Ni doping optimizes adsorption–desorption in calcium-based materials, providing theoretical guidance for designing high-performance sorbents. Full article

Direct Air Capture (DAC) is gaining worldwide attention as a negative emissions strategy critical to meeting climate targets. Among emerging DAC materials, pyrolysis chars (PCs) and gasification chars (GCs) derived from biomass present a promising pathway due to their tunable porosity, surface chemistry, and low-cost feedstocks. This review critically examines the current state of research on the physicochemical properties of PCs and GCs relevant to CO₂ adsorption, including surface area, pore structure, surface functionality and aromaticity. Comparative analyses show that chemical activation, especially with KOH, can significantly improve CO₂ adsorption capacity, with some PCs achieving more than 308 mg/g (100 kPa CO₂, 25 °C). Additionally, nitrogen and sulfur doping further improves the affinity for CO₂ through increased surface basicity. GCs, although inherently more porous, often require additional modification to achieve a similar adsorption capacity. Importantly, the long-term stability and regeneration potential of these chars remain underexplored, but are essential for practical DAC applications and economic viability. The paper identifies critical research gaps related to material design and techno-economic feasibility. Future directions emphasize the need for integrated multiscale research that bridges material science, process optimization, and real-world DAC deployment. A synthesis of findings and a research outlook are provided to support the advancement of carbon-negative technologies using thermochemically derived biomass chars. Full article

High-performance hydrogen gas sensors have gained considerable interest for their crucial function in reducing H₂ explosion risk. Although MoS₂ has good potential for chemical sensing, its application in hydrogen detection at room temperature is limited by slow response and incomplete recovery. In this work, Pd-doped MoS₂ thin films are deposited on a Si substrate, forming Pd-doped MoS₂/Si heterojunctions via magnetron co-sputtering. The incorporation of Pd nanoparticles significantly enhances the catalytic activity for hydrogen adsorption and facilitates more efficient electron transfer. Owing to its distinct structural characteristics and sharp interface properties, the fabricated Pd-doped MoS₂/Si heterojunction device exhibits excellent H₂ sensing performance under room temperature conditions. The gas sensor device achieves an impressive sensing response of ~6.4 × 10³% under 10,000 ppm H₂ concentration, representing a 110% improvement compared to pristine MoS₂. Furthermore, the fabricated heterojunction device demonstrates rapid response and recovery times (24.6/12.2 s), excellent repeatability, strong humidity resistance, and a ppb-level detection limit. These results demonstrate the promising application prospects of Pd-doped MoS₂/Si heterojunctions in the development of advanced gas sensing devices. Full article

Surface and sub-surface atomic configurations are critical for catalysis as they host the active sites governing electrochemical processes. This study employs density functional theory (DFT) calculations and Monte Carlo simulations combined with the cluster-expansion approach to investigate atom distribution and Pt segregation in Pt-Fe alloys across varying Pt/Fe ratios. Our simulations reveal a strong tendency for Pt atoms to segregate to the surface layer while Fe atoms enrich the sub-surface region. Crucially, the calculations predict the stability of a periodic Pt₂Fe alloy surface model, characterized by specific defect structures, at low platinum content and low annealing temperatures. Electronic structure analysis indicates that forming this Pt₂Fe surface alloy lowers the d-band center of Pt atoms, weakening CO adsorption and thereby enhancing resistance to CO poisoning. Although defect-induced strains can modulate the d-band center, crystal orbital Hamilton population (COHP) analysis confirms that such strains generally strengthen Pt-CO interactions. Therefore, the theoretical design of Pt₂Fe alloy surfaces and controlling defect density are predicted to be effective strategies for enhancing catalyst resistance to CO poisoning. This work highlights the advantages of periodic Pt₂Fe surface models for anti-CO poisoning and provides computational guidance for designing efficient Pt-based electrocatalysts. Full article

Porous materials are characterized by the pore surface area (S) and volume (V) accessible to a confined fluid. For mesoporous materials NMR measurements of diffusion are used to assess the S/V ratio, because at short times, only the diffusivity of molecules in the adsorbed layer is affected by confinement and the fractional population of these molecules is proportional to the S/V ratio. For materials with sub-nanometer pores, this might not be true, as the adsorbed layer can encompass the entire pore volume. Here, using molecular simulations, we explore the role played by S and S/V in determining the dynamical behavior of two carbon-bearing fluids—CO₂ and ethane—confined in sub-nanometer pores of silica. S and V in a silicalite model representing a sub-nanometer porous material are varied by selectively blocking a part of the pore network by immobile methane molecules. Three classes of adsorbents were thus obtained with either all of the straight (labeled ‘S-major’) or zigzag channels (‘Z-major’) remaining open or a mix of a fraction of both types of channel blocked, resulting in half of the total pore volume being blocked (‘Half’). While the adsorption layers from opposite surfaces overlap, encompassing the entire pore volume for all pores except the intersections, the diffusion coefficient is still found to be reduced at high S/V, especially for CO₂, albeit not so strongly as would be expected in the case of wider pores. This is because of the presence of channel intersections that provide a wider pore space with non-overlapping adsorption layers. Full article

This study focuses on the exchange of mono- and divalent metal cations in FAU-type zeolite and their behavior in gas-phase CO₂ adsorption measurements and liquid-phase methylene blue (MB) adsorption in the absence of oxidizing agents under dark conditions. Firstly, zeolites exchanged with different cations were characterized by several techniques, such as XRD, SEM, XRF, XPS, and N₂ adsorption–desorption, to reveal the impact of the cations on the zeolite texture and structure. The adsorption studies revealed a positive effect of cation exchange on the adsorption capacity of the zeolite, particularly for silver-loaded FAU zeolite. In liquid-phase experiments, Ag-Y zeolite also demonstrated the highest MB removal, with a value of 79 mg/g. Kinetic studies highlighted that Ag-Y could reach the MB adsorption equilibrium within 1 h, with its highest rate of adsorption occurring during the first 5 min. In gas-phase adsorption studies, the highest CO₂ adsorption capacity was also achieved over Ag-Y, yielding 10.4 µmol/m² of CO₂ captured. Full article

In this study, a highly cadmium (II)-resistant bacterium strain, C10-4, identified as Bacillus altitudinis, was isolated from a sediment sample collected from Baiyangdian Lake, China. The minimum inhibitory concentration (MIC) of Cd(II) for strain C10-4 was 1600 mg/L. Factors such as the contact time, pH, Cd(II) concentration, and biomass dosage affected the adsorption of Cd(II) by strain C10-4. The adsorption process fit well to the Langmuir adsorption isotherm model and the pseudo-second-order kinetics model, based on the Cd(II) adsorption data obtained from the cells of strain C10-4. This suggests that Cd(II) is adsorbed by strain C10-4 cells via a single-layer homogeneous chemical adsorption process. According to the Langmuir model, the maximum biosorption capacity was 3.31 mg/g for fresh-strain C10-4 biomass. Cd(II) was shown to adhere to the bacterial cell wall through SEM-EDS analysis. FTIR spectroscopy further indicated that the main functional sites for the binding of Cd(II) ions on the cell surface of strain C10-4 were functional groups such as N-H, -OH, -CH-, C=O, C-O, P=O, sulfate, and phosphate. After the inoculation of strain C10-4 into Cd(II)-contaminated soils, there was a significant reduction (p < 0.01) in the exchangeable fraction of Cd and an increase (p < 0.01) in the sum of the reducible, oxidizable, and residual fractions of Cd. The results show that Bacillus altitudinis C10-4 has good potential for use in the remediation of Cd(II)-contaminated soils. Full article

Carbon monoxide (CO) is a major toxic gas emitted from vehicle exhaust, industrial processes, and incomplete fuel combustion, posing serious environmental and health risks. Catalytic oxidation of CO into less harmful CO₂ is an effective strategy to reduce these emissions. In this study, we investigated the catalytic performance of platinum (Pt) single atoms doped on C₃N monolayers with various vacancy defects, including single carbon (C_V) and nitrogen (N_V) vacancies, using density functional theory (DFT) calculations. Our results demonstrate that Pt@N_V-C₃N exhibited the most favorable catalytic properties, with the highest O₂ adsorption energy (−3.07 eV). This performance significantly outperforms Pt atoms doped at other vacancies. It can be attributed to the strong binding between Pt and nitrogen vacancies, which contributes to its excellent resistance to Pt aggregation. CO oxidation on Pt@N_V-C₃N proceeds via the Eley–Rideal (ER2) mechanism with a low activation barrier of 0.41 eV for the rate-determining step, indicating high catalytic efficiency at low temperatures. These findings suggest that Pt@N_V-C₃N is a promising candidate for CO oxidation, contributing to developing cost-effective and environmentally sustainable catalysts. The strong binding of Pt atoms to the nitrogen vacancies prevents aggregation, ensuring the stability and durability of the catalyst. The kinetic modeling further revealed that the ER2 mechanism offers the highest reaction rate constants over a wide temperature range (273–700 K). The low activation energy barrier also facilitates CO oxidation at lower temperatures, addressing critical challenges in automotive and industrial pollution control. This study provides valuable theoretical insights for designing advanced single-atom catalysts for environmental remediation applications. Full article

The commercialization of proton-conducting fuel cells (PCFCs) is hindered by the limited electroactivity and durability of cathodes at intermediate temperatures ranging from 400 to 700 °C, a challenge exacerbated by an insufficient understanding of high-entropy perovskite (HEP) materials for oxygen reduction reaction (ORR) optimization. This study introduces an yttrium-doped HEP to address these limitations. A comparative analysis of Ce_0.2−xY_xBa_0.2Sr_0.2La_0.2Ca_0.2CoO_3−δ (x = 0, 0.2; designated as CBSLCC and YBSLCC) revealed that yttrium doping enhanced the ORR activity, reduced the thermal expansion coefficient (19.9 × 10⁻⁶ K⁻¹, 30–900 °C), and improved the thermomechanical compatibility with the BaZr_0.1Ce_0.7Y_0.1Yb_0.1O_3−δ electrolytes. Electrochemical testing demonstrated a peak power density equal to 586 mW cm⁻² at 700 °C, with a polarization resistance equaling 0.3 Ω cm². Yttrium-induced lattice distortion promotes proton adsorption while suppressing detrimental Co spin-state transitions. These findings advance the development of durable, high-efficiency PCFC cathodes, offering immediate applications in clean energy systems, particularly for distributed power generation. Full article

As the most unstable crystalline form of calcium carbonate, vaterite is rarely found in nature due to being highly prone to phase transitions. However, its high specific surface area, excellent biocompatibility, and high solubility properties have led to a research boom and the following breakthroughs in the last two decades: (1) From primitive calculations and spectroscopic analyses to modern multidimensional research methods combining calculations and experiments, the crystal structure of vaterite has turned from early identifications in orthorhombic and hexagonal crystal systems to a complex polymorphic structure within the monoclinic crystal system. (2) The formation process of vaterite not only conforms to the classical crystal growth theory but also encompasses the nanoparticle aggregation theory, which incorporates the concepts of oriented nanoparticle assembly and mesoscale transformation. (3) Regardless of the conditions, the formation of vaterite depends on an excess of CO₃²⁻ relative to Ca²⁺, and its stability duration relates to preservation conditions. (4) Vaterite demonstrates significant value in biomedical applications—including bone repair scaffolds, targeted drug carriers, and antibacterial coating materials—leveraging its porous structure, high specific surface area, and exceptional biocompatibility. While it also shows utility in environmental pollutant adsorption and general coating technologies, the current research remains predominantly concentrated on its medical applications. Currently, the rapid transformation of vaterite presents the primary limitation for its industrial application. Future research should prioritize investigating its formation kinetics and stability. Full article