Search Results (1,629)

Self-assembled monolayers of alkane thiolate and alkane selenolate have been proven to inhibit atmospheric corrosion, but upon prolonged exposure to the important constituents of indoor atmosphere, namely humidified air with formic acid, the protective layer eventually breaks, but the exact reason is not yet clear. In this paper, we report on an XPS study of co-adsorbed formic acid and hexane selenol on a Cu surface. Adsorption of hexane selenol at room temperature breaks the Se-C bond, leaving a monolayer of Se on the surface, whereas adsorption at 140 K leaves a layer of selenolate. Formic acid exposure to the selenolate-Cu surface leads to adsorbed formate on unprotected areas and absorption of formic acid within the alkane chain network. During heating, the formic acid desorbs and the Se-C bond breaks, but formic acid does not accelerate the Se-C scission, which occurs just below room temperature both with and without formic acid. Thus, formic acid alone does not affect the Se-C bond, but its presence may create disorder and open up the alkane carpet for other species. Selenol removes formate and oxide from the surface at room temperature. The Se-C bond breaks and the alkane chain reacts with surface oxygen to form carbon oxides and volatile hydrocarbons. Full article

Water treatment systems in swimming ponds support the natural self-cleaning capabilities of water based on the functions of repository macrophytes in their regeneration zone and the regulation of the internal metabolism of the reservoirs. As part of the project, a functional modular filtration chamber with system multiplication capabilities was designed and created. This element is dedicated to water treatment systems in natural swimming ponds. The prototype system consisted of modular filtration chambers and pump sections, as well as equipment adapted to the conditions prevailing in the eco-pool. An innovative solution for selective shutdown of the filtration chamber without closing the circulation circuit was also used, which forms the basis of a patent application. A verified high-performance adsorbent, Rockfos^® modified limestone, was used in the filtration chamber. In order to determine the effective filtration rate for three small test ponds with different flow rates (5 m/h, 10 m/h and 15 m/h), the selected physicochemical parameters of water (temperature, pH, electrolytical conductivity, oxygen saturation, total hardness, nitrites, nitrates, and total phosphorus, including adsorption efficiency and bed absorption capacity) were researched before and after filtration. Tests were also carried out on the composition of fecal bacteria and phyto- and zooplankton. Based on high effective phosphorus filtration efficiency of 32.65% during the operation of the bed, the following were determined: no exceedances of the standards for the tested parameters in relation to the German standards for eco-pools (FLL—Forschungsgesellschaft Landschaftsentwicklung Landschaftsbau e. V., 2011); lower number of fecal pathogens (on average 393—coliform bacteria; 74—Escherichia coli; 34—fecal enterococci, most probably number/100 mL); the lowest share of problematic cyanobacteria in phytoplankton (<250,000 individuals/dm³ in number and <0.05 µg/dm³—biomass); low chlorophyll a content (2.2 µg/dm³—oligotrophy) and the presence of more favorable smaller forms of zooplankton, an effective filtration speed of 5 m/h. This velocity was recommended in the FLL standards for swimming ponds, which were adopted in this study as a reference for rapid filters. In testing the functional efficiency of a dedicated filtration system for a Type II test pond (50 m²—area and 33 m³—capacity), at a filtration rate of 5 m/h, an average effective phosphorus adsorption efficiency of 18.28–53.98% was observed under the bed work-in-progress conditions. Analyses of other physicochemical water parameters, with appropriate calculations and statistical tests, indicated progressive functional efficiency of the system under bathing conditions. Full article

Rice is one of the world’s most consumed foods, and the cereal that most efficiently uptakes and accumulates As, contributing to human health risk. Flooded rice fields alter Eh-pH conditions and, consequently, the proportion of As(III)/As(V), favoring their accumulation in the crop. The use of algae in paddy soils can improve fertility and C-stock and affect chemical conditions and As availability. This study aimed to evaluate the effect of algae application on: As adsorption capacity in paddy soils from Sado, Portugal, changes in pH-Eh conditions in the soil–water environment, and consequent As speciation. Batch-based As adsorption assays were performed with different solid–solution ratios and Chlorella minutissima algae application, and fitted to the Freundlich and Langmuir linear models. In semi-continuous column assays, simulating rice field conditions, the effect of algae on the pH-Eh of soil pore water was evaluated. The soil quality assessment showed pseudo-total contents of As and other elements higher than Portuguese agriculture limits (11 mg As kg⁻¹), but their availability was low, posing no environmental risk. The studied soils had great As adsorption, which increased with algae application (1.07 mg g⁻¹). Algae application favored oxygenation, increasing Eh values, and maintaining As(V) species. This indicated a potential approach to reducing As(III) mobility. Full article

Advancing catalysts for low-temperature NH₃-SCR enhances their viability as a terminal flue gas denitration solution across diverse operating regimes. A high-performance, hydrothermally stable catalyst for low-temperature SCR was synthesized by depositing MnO_x onto MgAlO_x composite oxide supports. These supports, featuring varied Mg/Al ratios, originated from layered double hydroxide (LDH) precursors. The obtained catalyst with the Mg/Al ratio of 2 (Mn/Mg₂AlO_x) possesses relatively high concentrations of active oxygen species (O_α) and Mn⁴⁺ and exhibits remarkable catalytic performance. The Mn/Mg₂AlO_x catalyst exhibits a wide operating temperature range (100–300 °C) for denitration, achieving over 80% NO_x conversion, along with robust water resistance. The temperature-programed surface reactions and NO oxidation reactions are performed to elucidate the promoting effect of water on N₂ selectivity, which is not only due to inhibition of catalyst oxidation capacity at high temperature but also is related to the competing adsorption of water and NH₃. In situ DRIFTS analysis confirmed that the NH₃-SCR mechanism over Mn/Mg₂AlO_x adheres to the Eley–Rideal (E–R) pathway. These findings highlight the significant promise of Mn/MgAlO_x catalysts for deployment as downstream denitration units within exhaust treatment systems. Full article

With the increasing severity of cadmium (Cd) contamination in soil and its persistent toxicity, developing efficient remediation methods has become a critical necessity. In this study, sodium borohydride (NaBH₄) and tea polyphenols (TP) were employed as reducing agents to synthesize biochar (BC)-supported nanoscale zero-valent iron (nZVI), denoted as BH₄-nZVI/BC and TP-nZVI/BC, respectively. The effects of dosage, pH, and reaction time on Cd immobilization efficiency were systematically investigated. Both composites effectively stabilized Cd, significantly reducing its mobility and toxicity. Toxicity Characteristic Leaching Procedure (TCLP) results showed that Cd leaching concentrations decreased to 8.23 mg/L for BH₄-nZVI/BC and 4.65 mg/L for TP-nZVI/BC, corresponding to performance improvements of 29.9% and 60.5%. The immobilization process was attributed to the reduction of Cd(II) into less toxic species, together with adsorption and complexation with oxygen-containing groups (-OH, -COOH, phenolic) on biochar. TP-nZVI/BC exhibited superior long-term stability, while maintaining slightly lower efficiency than BH₄-nZVI/BC under certain conditions. Microbial community analysis revealed minimal ecological disturbance, and TP-nZVI/BC even promoted microbial diversity recovery. Mechanistic analyses further indicated that tea polyphenols formed a protective layer on nZVI, which inhibited particle agglomeration and oxidation, reduced the formation of iron oxides, preserved Fe⁰ activity, and enhanced microbial compatibility. In addition, the hydroxyl and phenolic groups of tea polyphenols contributed directly to Cd(II) complexation, reinforcing long-term immobilization. Therefore, TP-nZVI/BC is demonstrated to be an efficient, sustainable, and environmentally friendly amendment for Cd-contaminated soil remediation, combining effective immobilization with advantages in stability, ecological compatibility, and long-term effectiveness. Full article

This study systematically investigates the structural stability and surface chemical behavior of selected transition metal dichalcogenides (AX₂, where A = V, Mo, Pt; X = S, Se, Te) in both 1T and 2H phases. We evaluate surface chemical stability by computing the energetics of oxygen molecule adsorption and subsequent decomposition, simulating the formation of an AO₂ surface dioxide monolayer across all compounds. Additionally, the impact of surface oxidation on NO₂ sensing performance under varying temperatures and analyte concentrations is examined. Our findings emphasize the critical role of surface oxidation and oxygen competition in accurately predicting and understanding the chemical properties of these materials. Full article

The incomplete degradation of degradable plastics may pose potential ecological risks, as it can generate degradable microplastics (DMPs), especially when these DMPs coexist with heavy metals in soil. Taking petrochemical-based poly(butylene adipate-co-terephthalate) (PBAT) and bio-based polylactic acid (PLA) as representative DMPs, this study investigated how DMPs affect the adsorption–desorption behavior of Cu²⁺ in soil and the underlying mechanisms via batch equilibrium experiments and characterization analyses. The experiments revealed that ion exchange (accounting for 33.6–34.3%), oxygen-containing functional group complexation, and electrostatic interactions were the primary adsorption driving forces, with chemical adsorption playing the main role. Compared to the soil, the PBAT and PLA had smaller specific surface areas and pore volumes, fewer oxygen-containing functional groups, and especially lacked O-metal functional groups. They can dilute soil, clog its pores, and cover its active sites. 1% DMPs significantly reduced the soil’s equilibrium adsorption capacity (Q_e) (3.7–4.7%) and increased equilibrium desorption capacity (Q_De) (1.7–2.6%), thereby increasing the mobility and ecological risk of Cu²⁺. PBAT and PLA had no significant difference in effects on the adsorption, but their specific mechanisms were somewhat distinct. Faced with the prevalent, worsening coexistence of DMPs and heavy metals in soil, these findings contribute to the ecological risk assessment of DMPs. Full article

Current Pt-based methane combustion catalysts require high noble metal loadings (≥1 wt%) and exhibit insufficient low-temperature activity. To address this, we developed a 0.5 wt% Pt catalyst supported by sulfate-modified Fe-Ce-TiO₂ (denoted 0.5Pt/CFT-TS) via sol–gel synthesis using titanium oxysulfate (TiOSO₄) precursor. Control catalysts prepared with TiCl₄, titanium butoxide, or commercial TiO₂ showed inferior performance. Structural characterization revealed that the TiOSO₄ derived carrier possesses a mesoporous framework (156.2 m²/g surface area, 8.1 nm pore size) with residual SO₄²⁻ inducing strong Brønsted acidity (1.23 mmol/g NH₃ adsorption) and elevated Ce³⁺ concentration (49.45%). These properties synergistically enhanced oxygen vacancy density (51.16% O_α fraction) and stabilized sub-nm Pt nanoparticles. The resulting Pt⁰-Fe³⁺/Ce⁴⁺-Oᵥ interface facilitated dynamic redox cycling (Fe³⁺ + Ce⁴⁺ + 0.5O²⁻ ⇌ Fe²⁺ + Ce³⁺ + 0.5Oᵥ + 0.25O₂), lowering oxygen vacancy regeneration barriers (H₂-TPR peak reduced by 45 °C) and decreasing methane activation energy to 46.77 kJ/mol. This catalyst achieved T₉₀ = 163 °C and complete conversion at 450 °C under industrial conditions (1% CH₄/4% O₂, GHSV = 30,000 h⁻¹), establishing a novel design strategy for low-Pt combustion catalysts. Full article

Co-electrolysis of CO₂ and H₂O offers a promising route for efficient and controllable syngas production from greenhouse gases and water. However, the atomic-scale reaction mechanism remains elusive, especially on complex oxide surfaces. In this study, we employ density functional theory (DFT) to investigate the adsorption and activation of CO₂ and H₂O on the FeMoO-terminated (001) surface of Sr₂Fe_1.5Mo_0.5O₆ (SFM), a double perovskite of growing interest for solid oxide electrolysis. Our results show that CO₂ strongly interacts with surface lattice oxygen, adopting a bent configuration with substantial charge transfer. In contrast, H₂O binds more weakly at Mo sites through predominantly electrostatic interactions. Co-adsorption analyses reveal a bidirectional interplay: pre-adsorbed H₂O enhances CO₂ binding by altering its adsorption geometry, whereas pre-adsorbed CO₂ weakens H₂O adsorption due to competitive site occupation. This balance suggests that moderate co-adsorption may facilitate proton–electron coupling, while excessive coverage of either species suppresses activation of the other. Bader charge analysis, charge density differences, and projected density of states highlight the key role of Fe/Mo–O hybridized states near the Fermi level in mediating surface reactivity. These results, obtained for a perfect defect-free surface, provide a theoretical benchmark for disentangling intrinsic molecule–surface and molecule–molecule interactions, and offer guidance for designing high-performance perovskite electrocatalysts for CO₂ + H₂O co-electrolysis. Full article

This review sheds some light on the emerging niche of the reuse of spent adsorbents in electrochemical devices. Reuse and repurposing extend the adsorbent’s life cycle, remove the need for long-term storage, and generate additional value, making it a highly eco-friendly process. Main adsorbent-type materials are overviewed, emphasising desired properties for initial adsorption and subsequent conversion to electroactive material step. The effects of the most frequent regeneration procedures are compared to highlight their strengths and shortcomings. The latest efforts of repurposing and reuse in supercapacitors, fuel cells, and batteries are analysed. Reuse in supercapacitors is dominated by materials that, after a regeneration step, lead to materials with high surface area and good pore structure and is mainly based on the conversion of organic adsorbents to some form of conductive carbon adlayer. Additionally, metal/metal-oxide and layered-double hydroxides are also being developed, but predominantly towards fuel cell and battery electrodes with respectable oxygen reduction characteristics and significant capacities, respectively. Repurposed adsorbents are being adopted for peroxide generation as well as direct methanol fuel cells. The work puts forward electrochemical devices as a valuable avenue for spent adsorbents and as a puzzle piece towards a greener and more sustainable future. Full article

Portable oxygen concentrators (POCs) can help reduce the load on hospitals and offer emergency care to patients in need of oxygen therapy. In this study, a POC was developed and tested at different pressures and cycling times. The device was made using low-cost materials to reduce the manufacturing cost. It was found that high air pressures resulted in an overall increase in oxygen concentration in the product air. Oxygen concentration was also found to increase as cycling time was extended. Pressurizing the air at 0.8 MPa for 15 s per cycle delivered 93% pure oxygen, which fulfills the medical need of intensive care unit (ICU) oxygen therapy. Full article

Coal-fired power plants, as the largest source of human-made mercury emissions, often lack specialized mercury emission control devices. Therefore, developing cost-effective adsorbents and studying their regeneration properties are highly important for mercury removal from flue gas. In this study, the regeneration efficiency and stability of a composite material made from polymetallic Fe/Cu-doped modified biochar combined with the MOF material Cu-BTC were investigated. Based on the analysis of microscopic characteristics, the molecular structure of the regenerated composites was modeled, and the adsorption and regeneration process of Hg⁰ on their surface was simulated using density functional theory. This helped uncover the underlying mechanisms of mercury removal and regeneration. The results indicate that the optimal regeneration temperature and atmosphere were 350 °C and 5% O₂, resulting in the formation of a derived carbon material. The regeneration efficiency reached 92% of that of the original mercury adsorption capacity, and over 80% efficiency was maintained after 10 regeneration cycles. The regenerated samples adsorbed Hg⁰ through the combined action of surface metal oxides, the metal element Cu, and oxygen-containing functional groups. Full article

Electrokinetic (EK) remediation is a promising approach for the removal of heavy metals from fine-grained soils; however, its efficiency is often hindered by electrode polarization, pH imbalance, and ion accumulation. In this study, we developed a novel hydrogel-based electrode (NH electrode), composed of sodium alginate and multilayer graphene oxide (GO), to enhance the electrokinetic removal of Cu²⁺ and Pb²⁺ from loess. The electrode was systematically characterized by atomic force microscopy (AFM), cyclic voltammetry (CV), and electrochemical impedance spectroscopy (EIS), confirming its structural integrity, electrochemical activity, and interfacial conductivity. The NH electrode exhibited a smooth layered graphene structure with abundant oxygen-containing functional groups (AFM), negligible electrochemical polarization (CV), and low internal resistance with high conductivity (EIS), enabling efficient ion transport and adsorption. Electrokinetic tests revealed that the NH electrode outperformed conventional graphene (Gr) and electrokinetic graphite (EKG) electrodes. Single regulation strategies, including focusing position adjustment and electrode exchange, improved local removal efficiency by mitigating ion accumulation in targeted regions. The combined regulation strategy, integrating both measures, achieved the most uniform Cu²⁺ and Pb²⁺ removal, significantly suppressing hydroxide precipitation in cathodic zones and enhancing ion migration in the mid-section. Compared with literature-reported systems under similar or even more favorable conditions, the NH electrode and combined regulation approach achieved superior performance, with Cu²⁺ and Pb²⁺ removal efficiencies reaching 47.25% and 16.93%, respectively. These findings demonstrate that coupling electrode material innovation with spatial–temporal pH/flow field regulation can overcome key bottlenecks in EK remediation of heavy-metal-contaminated loess. Full article

The interaction between DNA and two-dimensional materials, such as graphene oxide (GO), has aroused significant research interest due to its potential applications, including biosensors, drug delivery, and gene therapy. However, the difference in interaction between DNA and oxygen functional groups on GO remains unclear, and direct observation at the experimental level is still challenging. In this work, we investigated the adsorption process of a single-stranded DNA (ssDNA) onto GO exhibiting a series of oxidation degrees by molecular dynamics simulations. We found that the ssDNA preferentially binds to hydroxyl groups (-OH) over epoxy groups (-O-) on the GO surface. This preferential adsorption feature may be attributed to the stronger tendency of ssDNA to form hydrogen bonds (HBs) with hydroxyl groups compared to epoxy groups in aqueous solutions. Further analysis indicates that the affinity interaction between ssDNA and hydroxyl groups presumably increases the oxidation degree of GO, thus suggesting a better binding between ssDNA and GO. This work is not only expected to provide the underlying mechanism of ssDNA onto graphene-based interfaces but also offers a deeper understanding of the structures of DNA-two-dimensional complexes, which may potentially contribute to designing new molecular structures for bio-sensing-related nano-devices and nanostructures. Full article

The paper systematically investigated the flotation behavior and interaction mechanisms of andalusite and quartz under sodium dodecyl sulfonate (SDS) through integrated experimental and computational approaches, including zeta potential measurements, Fourier-transform infrared (FTIR) spectroscopy, Materials Studio (MS)-based quantum chemical calculations, and single-mineral flotation tests. The results of zeta potential and infrared spectroscopy analysis indicated that SDS underwent strong chemical adsorption on the surface of andalusite, while the adsorption effect on the surface of quartz was not obvious. MS calculations showed that the {100} surface energy of andalusite was the lowest, and it was the most important dissociation surface. After SDS was adsorbed on the {100} surface of andalusite, the aluminum atoms on the surface of andalusite lost electrons, resulting in a significant increase in the number of positive charges they carried. The activity of oxygen atoms was enhanced, while the number of charges carried by silicon atoms changed relatively little. It was indicated that SDS adsorbed the active sites of Al atoms on the surface of andalusite. The results of the pure mineral flotation test further verified the accuracy of the previous test results, indicating that andalusite and quartz had a good flotation separation effect under the SDS system. Full article