Search Results (3,437)

A poly (acrylic acid–tannic acid) (PAA–TA) crosslinked composite is reported on for the first time as an aqueous binder for LiMn_0.6Fe_0.4PO₄ (LMFP) cathodes to suppress manganese dissolution. Benefiting from hydrogen bonding and chemical crosslinking, the PAA-TA binder constructs a robust three-dimensional network that strengthens the interfacial adhesion among active particles, conductive additives, and the current collector, stabilizing the LMFP crystal structure upon cycling. More importantly, this polymeric network effectively restrains manganese leaching, which is the major origin of the capacity fading of LMFP cathodes. Meanwhile, continuous electron and ion transport pathways are well established. The LMFP electrode with an optimized PA5TA1 binder delivers a reversible capacity of 112 mAh g⁻¹ at 5 C and retains 81.3% of its capacity after 300 cycles, outperforming the PVDF/LMFP electrode. Post–mortem analyses of cycled LMFP cathodes further confirm that there was substantially suppressed Mn²⁺ dissolution in the PAA–TA electrode, corroborating the structural integrity of the cathode–electrolyte interface. This crosslinked aqueous polymer provides a sustainable alternative to the PVDF binder for long–life LMFP cathodes. Full article

Against the backdrop of the global low-carbon transition, power-to-ammonia (PtA) has emerged as a pivotal direction for large-scale energy storage. Distributionally robust optimization can effectively address uncertainties in energy systems; however, traditional distributionally robust dispatch models generally suffer from over-conservatism that leads to increased operational costs, and existing PtA studies mostly focus on scenario-based adaptations of established optimization tools, lacking mechanistic and methodological innovations tailored to the electricity–hydrogen–ammonia coupling characteristics. To address these issues, this paper proposes a distributionally robust chance-constrained economic dispatch model (WMDRCC) based on the Wasserstein metric and first-order moment information, and introduces a logical mapping relationship that links hydrogen storage capacity with the operating modes of ammonia synthesis. This mechanism enables real-time optimization of the H₂/N₂ feed ratio, mitigates hydrogen source fluctuations, and avoids reactor instability and cost-ineffective shutdowns. Furthermore, by integrating Conditional Value at Risk (CVaR), duality theory, and big-M linearization, the complex robust chance-constrained problem is reformulated into a computationally tractable mixed-integer linear programming (MILP) model. Numerical results on the IEEE 33-bus system demonstrate that, compared with a distributionally robust model based solely on the Wasserstein distance, the proposed method effectively reduces system operating costs under the tested 24 h daily scenarios, while simultaneously improving renewable energy accommodation and reducing network losses, thereby providing a novel dispatch scheme for PtA systems that balances both economic efficiency and robustness. Full article

We report the laboratory rotational spectroscopy of 2’-hydroxyacetophenone, a promising candidate for the first detection of a complex oxygenated aromatic ring in the interstellar medium. The molecule is stabilized by a strong intramolecular hydrogen bond and is dominated by a single conformer with a favorable electric dipole moment (${\mu }_a=0.77$ D, ${\mu }_b=3.15$ D). Spectra were recorded using chirped-pulse pulsed-jet Fourier-transform microwave spectroscopy in the 2–8 GHz region and combined with previously reported free-jet millimeter-wave absorption data. A global least-squares analysis of both data sets yields highly accurate spectroscopic constants, including the rotational constants $A=2277.0739\left(5\right)$ MHz, $B=1212.1098\left(3\right)$ MHz, and $C=795.2762\left(3\right)$ MHz, while accounting for the methyl internal rotation barrier ($V_3=546.8\left(4\right)$ cm⁻¹). These parameters were then used to generate a comprehensive set of predicted transition frequencies extending up to 163 GHz (ALMA Band 4), providing a solid foundation for future astronomical searches in cold sources. Full article

Hydrogen peroxide (H₂O₂), as a green oxidant and an emerging energy carrier, has attracted considerable attention for its photocatalytic synthesis. Covalent organic frameworks (COFs) have emerged as ideal photocatalyst platforms owing to their structurally designable nature and tunable optoelectronic properties. In particular, the construction of donor–acceptor (D-A) structures has proven to be a key strategy for enhancing the photocatalytic H₂O₂ production efficiency of COFs. This review systematically summarizes the recent advances in D-A-type COFs for photocatalytic H₂O₂ production. We first elucidate the intrinsic mechanism by which D-A structures enhance photocatalytic performance, namely the promotion of exciton dissociation and charge separation via intramolecular charge transfer effects. Subsequently, we provide a comprehensive assessment of strategies for optimizing the photocatalytic performance of D-A COFs, including D-A architecture design (encompassing D-A, D-π-A, A-D-A variants, and others), linkage engineering, functional group modification, dimensionality and topology modulation, and heterojunction construction. Finally, we critically analyze the current shortcomings in stability, mechanistic understanding, scalable synthesis, and practical applications, and offer perspectives on future research directions. This review aims to provide a systematic reference for the rational design of high-performance D-A-type COF photocatalysts. Full article

To mitigate capital investment costs, the multi-to-one configuration, wherein multiple alkaline electrolyzers share a single balance of plant (BoP) system, is widely adopted in projects. However, compared with the one-to-one configuration, the strong coupling inherent in the shared BoP imposes complex mutual constraints on the on-off switching and load allocation of multiple electrolyzers, thereby compromising the operational flexibility of the hydrogen plant. To leverage the complementary strengths of multi-to-one and one-to-one configurations regarding investment costs and operational flexibility, this paper proposes a mixed configuration method for multi-to-one electrolyzers in solar power-to-hydrogen systems. First, the hydrogen production characteristics, on-off switching, and power allocation of multiple alkaline electrolyzers are modeled. Furthermore, the coupling constraints specific to multi-to-one clusters are characterized based on practical engineering experience. Subsequently, a mixed configuration model targeting the minimization of the levelized cost of hydrogen (LCOH) is proposed. This problem is formulated as a mixed-integer fractional programming (MIFP) model with second-order cone constraints. Meanwhile, the information gap decision theory (IGDT) is applied to address photovoltaic power output uncertainty, and a bounded Dinkelbach algorithm is employed to reduce computational complexity. Case studies based on a real-world project in northern China demonstrate that the proposed mixed configuration model reduces the LCOH by 0.6%, 0.7%, and 1.3%, respectively, compared to uniform four-to-one, two-to-one, and one-to-one configurations. Additionally, the robustness analysis based on the IGDT demonstrates that the mixed configuration achieves the largest tolerable PV uncertainty radius under the prescribed LCOH limits. Full article

Chronic inflammatory pain is sustained by persistent oxidative stress and inflammatory signaling that promote peripheral and central sensitization. Although nonsteroidal anti-inflammatory drugs (NSAIDs), including ibuprofen, remain first-line therapies, their long-term use is limited by dose-dependent adverse effects. Therefore, strategies capable of enhancing NSAID efficacy while maintaining an acceptable safety profile are of considerable therapeutic interest. In this study, we investigated whether hydrogen-rich water (HRW) enhances the antinociceptive effects of ibuprofen in male C57BL/6J mice with complete Freund’s adjuvant (CFA)-induced chronic inflammatory pain. Dose–response studies demonstrated that both HRW and ibuprofen significantly attenuated mechanical allodynia and thermal hyperalgesia. Notably, co-administration of a low dose of HRW with ibuprofen produced significantly greater antiallodynic and antihyperalgesic effects than either treatment alone. Molecular analyses further showed that the combined treatment reduced the paw expression of the oxidative stress marker 4-hydroxynonenal (4-HNE) and the inflammasome component NLRP3, as well as spinal NADPH oxidases (NOX), NOX1 and NOX4 expression, while maintaining the CFA-induced upregulation of heme oxygenase-1 (HO-1) and superoxide dismutase-1 (SOD-1) protein levels. In contrast, spinal NOX2 expression remained unchanged. These findings indicate that the enhanced antinociceptive effect of HRW plus ibuprofen is associated with coordinated modulation of oxidative stress and inflammatory pathways at peripheral and/or spinal levels. Collectively, our results support HRW as a promising adjuvant strategy for improving NSAID-mediated analgesia and provide a strong preclinical rationale for further mechanistic and translational investigation of this combination as a multimodal therapeutic approach for chronic inflammatory pain. Full article

Green-waste compost may represent an alternative feedstock for the production of densified solid fuels; however, its energetic use is limited by its high mineral content and variable composition. The aim of this study was to evaluate the fuel and mechanical properties of pellets produced from green-waste compost and conifer sawdust. The compost was obtained from waste generated during the maintenance of urban green areas and was collected during two periods in 2025. For each collection period, five variants were prepared, including pellets made from 100% compost and mixtures containing 20–50% conifer sawdust. Nitrogen, carbon, and hydrogen contents, ash content, volatile matter, lower heating value (LHV), maximum compression force, and the energy required to reach the maximum force were determined. The composition of the feedstock mixture and the compost collection period significantly affected the properties of the pellets. Carbon content ranged from 31.40 to 38.56%, ash content from 26.20 to 42.56%, and volatile matter from 44.63 to 58.08%. The LHV ranged from 10.13 to 14.21 MJ·kg⁻¹. The highest LHV, maximum compression force, and compression energy were obtained for variant P1C50, containing 50% compost and 50% conifer sawdust from the first collection period. Pellets produced from compost collected during the first period generally exhibited lower ash content, higher LHV, and greater mechanical resistance than the corresponding variants produced from compost collected during the second period. The formulations containing 50% sawdust generally showed the most favorable energetic and individual-pellet compression results; however, the responses at intermediate sawdust proportions were non-monotonic and batch-specific, and high ash content remained the main limitation. Full article

To enhance renewable energy accommodation and operational flexibility under high renewable energy penetration, this study proposes a multi-objective optimal capacity configuration method for an electricity–heat–hydrogen integrated energy system incorporating a reversible solid oxide cell (RSOC). First, considering the bidirectional electricity–hydrogen conversion capability and waste heat recovery of the RSOC, an electricity–heat–hydrogen multi-energy complementary system is constructed, and efficiency correction models are established for key energy conversion devices to characterize their part-load characteristics. Second, representative source–load scenarios are generated using Latin hypercube sampling and K-means clustering, and a multi-objective optimal capacity configuration model is formulated to minimize the annualized total cost and the wind and photovoltaic power curtailment rate. Finally, given the limitations of the non-dominated sorting genetic algorithm II (NSGA-II) in complex capacity configuration problems, such as premature convergence to local optima and insufficient population diversity, an adaptive crossover and mutation mechanism, a local search strategy, and a dynamic selection mechanism based on comprehensive crowding distance are introduced to improve its optimization performance. A balanced configuration scheme is then selected based on the knee point of the Pareto front obtained by the algorithm. Case-study results show that the Pareto solution set obtained by the improved NSGA-II (INSGA-II) has better overall quality than those obtained by NSGA-II and multi-objective particle swarm optimization (MOPSO). The resulting balanced configuration scheme has an annualized total cost of CNY 422.9 million and a wind and photovoltaic curtailment rate of 2.797%. The proposed method effectively coordinates system economic performance and renewable energy accommodation, enhances the coordinated utilization of electricity, heat, and hydrogen energy flows, and provides a reference for capacity planning of integrated energy systems under high renewable energy penetration. Full article

Hydride perovskites have emerged as promising multifunctional materials for sustainable energy technologies owing to their potential for hydrogen storage and thermoelectric energy conversion. However, despite recent theoretical studies on tin-based hydride perovskites, a comprehensive understanding of the relationship between their structural, electronic, mechanical, thermoelectric, and hydrogen-storage properties remains limited. In this work, a systematic first-principles investigation of cubic XSnH₃ (X = Rb, Cs) hydride perovskites was performed using density functional theory within the full-potential linearized augmented plane wave (FP-LAPW) method, combined with Boltzmann transport calculations. The optimized structural parameters are in excellent agreement with previously reported theoretical data, confirming the reliability of the adopted computational approach. Both compounds satisfy the mechanical stability criteria and exhibit metallic electronic behavior dominated by Sn-p states around the Fermi level. The calculated thermoelectric properties reveal that the electrical conductivity decreases with increasing temperature, whereas the electronic thermal conductivity, power factor, and thermoelectric figure of merit increase continuously over the investigated temperature range. Among the studied compounds, RbSnH₃ exhibits superior thermoelectric performance together with a higher gravimetric hydrogen content (1.45 wt%) than CsSnH₃ (1.18 wt%). These findings demonstrate that alkali-metal substitution provides an effective strategy for tailoring the multifunctional properties of hydride perovskites and identify RbSnH₃ as a promising candidate for future hydrogen-storage and thermoelectric energy-conversion applications. Full article

Surface hydrogenation is a key strategy for material modification. The icosahedral B₁₂ superatom, featuring a closed-shell electronic structure and aromatic stability, serves as an ideal building block for 2D functional materials. Using first-principles calculations, we design highly stable 2D boron-based h-B₁₂X₂H₈ (X = N, P, As) by hydrogenating the parent h-B₁₂X₂ phases proposed in our previous work. Hydrogenation widens the bandgap from ~1 eV to 5.19–6.00 eV, strengthens bonding, and improves mechanical properties (higher Young’s modulus and lower Poisson’s ratio). Modified deformation-potential theory reveals carrier-type-selective mobilities, with the electron mobility of h-B₁₂P₂H₈ reaching 1755 cm²V⁻¹s⁻¹. Notably, when h-B₁₂X₂H₈ forms a heterojunction with its parent phase, it acts as a protective layer that preserves the parent’s electronic structure, facilitating applications in harsh environments. This work provides a rational pathway for designing B₁₂-based 2D materials via surface passivation and offers a model for constructing self-passivating protective layers on 2D materials. Full article

Benzophenone-3 (BP-3), an organic UV filter extensively applied in sunscreens, cosmetics and daily plastic products, is classified as a typical emerging endocrine-disrupting micropollutant. This compound is highly susceptible to bioaccumulation in aquatic organisms, triggers coral bleaching, and incurs oxidative damage to algae, fish and invertebrates. Conventional wastewater treatment processes cannot efficiently eliminate BP-3 from aqueous media, thereby imposing severe ecological risks on freshwater and marine ecosystems. In this study, iron-impregnated biochar (Fe-BC) was synthesized via an impregnation–pyrolysis route using powder of cultivated Chlorella pyrenoidosa (green microalga) as raw feedstock. Batch adsorption experiments revealed that iron impregnation remarkably enhanced the removal efficiency of BP-3. The maximum Langmuir saturated adsorption capacity of Fe-BC reached 91.7 mg/g, considerably exceeding the value of 51.5 mg/g for pristine biochar. Kinetic data exhibited favorable fitting with the pseudo-first-order kinetic model, demonstrating that Fe-BC rapidly captures BP-3 and achieves adsorption equilibrium within 120 min. Solution pH exerted a prominent influence on adsorption performance: the material maintained high BP-3 adsorption capacity at pH 7–10, whereas adsorption capacity declined drastically under strongly acidic (pH < 5) and extreme alkaline conditions (pH > 10.5). Fourier-transform infrared spectroscopy (FTIR) validated the successful loading of iron species onto the biochar surface, as well as the binding of BP-3 onto Fe-BC. Combined with pH-controlled experimental results, hydrogen bonding, hydrophobic interactions, and pore-filling effects are inferred as the dominant adsorption mechanisms for BP-3 removal. Furthermore, Fe-BC retained favorable BP-3 removal performance in simulated seawater matrices, endowing it with preliminary potential for wastewater treatment in coastal zones and tourist scenic areas. This work offers basic laboratory insights into BP-3 adsorption, while further verification concerning environmental low-concentration conditions, authentic water matrices, material reusability and stability is essential for its practical application. Full article

Water retention on the lunar surface is governed by water–mineral interactions, yet the atomic-scale transition from isolated adsorption to high-coverage water accumulation remains insufficiently understood. We perform spin-polarized first-principles calculations to investigate single- and multi-water adsorption on representative surfaces of four major lunar regolith minerals: CaAl₂Si₂O₈, MgFeSi₂O₆, FeTiO₃, and Mg₃FeSi₂O₈. Single-water adsorption reveals that H₂O preferentially anchors at exposed metal sites via O-M coordination, with Ti and Fe sites exhibiting stronger initial binding than Mg, Ca, or Al sites. The Hard–Soft Acid–Base (HSAB) principle provides a qualitative framework for this low-coverage site preference based on Lewis acidity. Specifically, the accessible d-orbitals and localized states of Ti/Fe centers introduce substantial covalent orbital coupling and interfacial polarization, which effectively reinforce the binding with the hard O-donor of water. However, as water coverage increases, the stabilization mechanism undergoes a fundamental transition. At low coverage, adsorption is localized and site-specific, governed by cation acidity. At high coverage, the formation of laterally connected hydrogen-bonded networks becomes the dominant stabilizing factor, and the overall adsorption behavior is increasingly dictated by surface topology and geometric compatibility for hydrogen-bond connectivity rather than by isolated cation acidity. This coverage-dependent evolution from electronic-driven anchoring to topology-driven network formation establishes a dual-stage cooperative mechanism for water accumulation on lunar mineral surfaces. Our findings suggest that models for volatile retention on airless bodies must account for both the electronic activity of surface cations and the structural topology of mineral surfaces. Full article

The World Bank’s Lighthouse Strategy identifies Morocco as a first mover exporter of green hydrogen and its derivatives to Europe; however, the engineering feasibility of the associated transport and storage network has not been quantitatively demonstrated. This study addresses that gap through an integrated spatial and multiperiod optimization framework that couples a spatially explicit Mixed Integer Linear Programming (MILP) model with a FlexSim/FloWorks digital twin for discrete event and hydraulic simulation. The MILP simultaneously optimizes electrolysis deployment, hydrogen storage technologies, and multimodal transport across a four node Moroccan export corridor (TanTan, Mohammedia, Jorf Lasfar, and Tanger Med) for the 2030, 2040, and 2050 planning horizons under a net present value objective. The optimal configuration combines a dedicated hydrogen backbone pipeline for the high volume production corridor with shortsea cabotage for the distribution branches, achieving a full chain levelized cost of ammonia (LCOA) of 1176 USD/t, consistent with the World Bank benchmark and reducing costs by 57 USD/t compared with an all cabotage configuration. The optimal network remains robust over a wide range of capital cost and financing assumptions, while the digital twin confirms the hydraulic and operational feasibility of the integrated pipeline–shipping system without critical port congestion. These findings demonstrate that combining optimization with digital twin validation provides a robust engineering basis for planning Morocco’s green hydrogen export infrastructure and supports investment decisions aligned with future CBAM compliant hydrogen and ammonia supply chains. Full article

The oxidative stability of animal fat is crucial for maintaining nutritional quality and food safety. This study aimed to evaluate the effects of four phenolic antioxidants (i.e., tert-butylhydroquinone, TBHQ; propyl gallate, PG; butylated hydroxytoluene, BHT; vitamin E, VE) on the stability of lard. The inhibitory effects of different antioxidant concentrations were comprehensively assessed using chemical index analyses, free radical scavenging assays, and electron paramagnetic resonance (EPR). The results showed that three synthetic antioxidants performed significantly better than VE, with TBHQ and PG exhibiting the best overall antioxidant performance. Specifically, TBHQ (0.2 g/kg) most effectively suppressed the increase in the peroxide value and was ranked first in the principal component analysis. PG significantly reduced the anisidine value (4.01) and demonstrated the best DPPH scavenging capacity (55.59 μmol TE/100 g). Notably, TBHQ presents certain toxicological concerns, whereas PG exhibits comparatively lower toxicity. Consequently, for practical industrial applications, PG should be prioritized as the antioxidant of choice for lard. Based on the EPR radical-scavenging results and known antioxidant chemistry, it was inferred that the antioxidants quenched superoxide anion radicals via hydrogen-atom and single-electron transfer mechanisms, thereby interrupting the oxidative chain reaction. This study provides a theoretical basis for the scientific selection of antioxidants in lard and offers guidance for ensuring food safety and nutritional quality. Full article

Composite overwrapped pressure vessels are increasingly used for hydrogen storage because of their lightweight construction. Ensuring their structural integrity therefore becomes an important requirement for safe operation. Ultrasonic guided waves are well suited for this task because they are highly sensitive to structural changes in thin-walled pressure vessels. In this work, we developed a machine learning framework based on interpretable Best Daubechies Wavelet features and k-Nearest Neighbors novelty detection. The framework identifies a persistent transition in the UGW response during overpressurization that is indicative of a permanent structural change and occurs prior to burst failure. It was validated using measurements acquired from a real-world pressure vessel. For the a priori selected sensor pair 11–12, located in the highly stressed cylindrical section, the method achieved a balanced accuracy of 98.28% and a true negative rate of 100%. In addition, the proposed methodology identified the pressure level at which the persistent structural transition first became detectable and showed that this transition remained detectable after the vessel had returned to its normal operating pressure. Full article