Search Results (415)

Electrochromic (EC) devices are gaining increasing attention for next-generation smart windows and low-power displays due to their reversible color modulation, low operating voltage, and flexible form factors. Recently, electrochromic energy storage devices (EESDs) have emerged as a promising class of multifunctional systems, enabling simultaneous energy storage and real-time visual monitoring. In this study, we report a flexible dual-functional EESD constructed using polyaniline (PANI) films doped with anthraquinone-1-sulfonic acid sodium salt (AQS), coupled with a redox-active PVA-based gel electrolyte also incorporating AQS. The incorporation of AQS into both the polymer matrix and the gel electrolyte introduces synergistic redox activity, facilitating bidirectional Faradaic reactions at the film–electrolyte interface and within the bulk gel phase. The resulting vertically aligned PANI-AQS nanoneedle films provide high surface area and efficient ion pathways, while the AQS-doped gel electrolyte contributes to enhanced ionic conductivity and electrochemical stability. The device exhibits rapid and reversible color switching from light green to deep black (within 2 s), along with a high areal capacitance of 194.2 mF·cm⁻² at 1 mA·cm⁻² and 72.1% capacitance retention over 5000 cycles—representing a 31.5% improvement over undoped systems. These results highlight the critical role of redox-functionalized gel electrolytes in enhancing both the energy storage and optical performance of EESDs, offering a scalable strategy for multifunctional, gel-based electrochemical systems in wearable and smart electronics. Full article

Under the accelerating global energy restructuring and the deepening carbon neutrality strategy, hydrogen energy has emerged with increasing strategic value as a zero-carbon secondary energy carrier. Water electrolysis technology based on renewable energy is regarded as an ideal pathway for large-scale green hydrogen production. However, polymer electrolyte membrane (PEM) conventional water electrolysis faces dual constraints in economic feasibility and scalability due to its high electrical energy consumption and reliance on noble metal catalysts. The mixed ionic-electronic conducting oxygen transport membrane (MIEC–OTM) reactor technology offers an innovative solution to this energy efficiency-cost paradox due to its thermo-electrochemical synergistic energy conversion mechanism and process integration. This not only overcomes the thermodynamic equilibrium limitations in traditional electrolysis but also reduces electrical energy demand by effectively coupling with medium- to high-temperature heat sources such as industrial waste heat and solar thermal energy. Therefore, this review, grounded in the physicochemical mechanisms of oxygen transport membrane reactors, systematically examines the influence of key factors, including membrane material design, catalytic interface optimization, and parameter synergy, on hydrogen production efficiency. Furthermore, it proposes a roadmap and breakthrough directions for industrial applications, focusing on enhancing intrinsic material stability, designing multi-field coupled reactors, and optimizing system energy efficiency. Full article

Mixed ionic–electronic conducting (MIEC) oxygen-permeable membranes have emerged as a frontier in oxygen separation technology due to their high efficiency, low energy consumption, and broad application potential. In recent years, computational fluid dynamics (CFD) has become a pivotal tool in advancing MIEC membrane technology, offering precise insights into the intricate mechanisms of oxygen permeation, heat transfer, and mass transfer through numerical simulations of coupled multiphysics phenomena. In this review, we comprehensively explore the application of CFD in MIEC membrane research, heat and mass transfer analysis, reactor design optimization, and the enhancement of membrane module performance. Additionally, we delve into how CFD, through multiscale modeling and parameter optimization, improves separation efficiency and facilitates practical engineering applications. We also highlight the challenges in current CFD research, such as high computational costs, parameter uncertainties, and model complexities, while discussing the potential of emerging technologies, such as machine learning, to enhance CFD modeling capabilities. This study underscores CFD’s critical role in bridging the fundamental research and industrial applications of MIEC membranes, providing theoretical guidance and practical insights for innovation in clean energy and sustainable technologies. Full article

This study develops a one-pot anodic templating electrodeposition strategy using dual-cation-crosslinking and interpenetrating networks, coupled with pulsed electrical signals, to fabricate a vessel-mimetic multilayered tubular hydrogel. Typically, the anodic electrodeposition is performed in a mixture of sodium alginate (SA) and carboxymethyl chitosan (CMC), with the ethylenediaminetetraacetic acid calcium disodium salt hydrate (EDTA·Na₂Ca) incorporated to provide a secondary ionic crosslinker (i.e., Ca²⁺) and modulate the cascade reaction diffusion process. The copper wire electrodes serve as templates for electrochemical oxidation and enable a copper ion (i.e., Cu²⁺)-induced tubular hydrogel coating formation, while pulsed electric fields regulate layer-by-layer deposition. The dual-cation-crosslinked interpenetrating hydrogels (CMC/SA-Cu/Ca) exhibit rapid growth rates and tailored mechanical strength, along with excellent antibacterial performance. By integrating the unique pulsed electro-fabrication with biomimetic self-assembly, this study addresses challenges in vessel-mimicking structural complexity and mechanical compatibility. The approach enables scalable production of customizable multilayered hydrogels for artificial vessel grafts, smart wound dressings, and bioengineered organ interfaces, demonstrating broad biomedical potential. Full article

Recently, the development of nanoparticle pigments has attracted interest in chemical preparation due to their potential functional properties, such as phosphate-based pigments. The present research focuses on the feasibility of synthesising the BaCr₂(P₂O₇)₂ pigment under hydrothermal conditions. The effect of the microstructural features of ceramic pigments (the crystalline structure, morphology, and particle size) on their optical properties (colour and reflectance) was also studied. The BaCr₂(P₂O₇)₂ compound was prepared in different fluid media, including water and NaOH solutions (0.5–1.0 M), at several reaction temperatures (170–240 °C) and intervals (6–48 h). The single-phase BaCr₂(P₂O₇)₂ did not crystallise without by-products (BaCr₂O₁₀, BaCr₂(PO₇)₂) in water and the alkaline solutions, even at 240 °C for 48 h; in these fluids, the ionic Cr³⁺ species oxidised to Cr⁶⁺. In contrast, the BaCr₂(P₂O₇)₂ single-phase crystallisation was favoured by adding urea as a reductant agent (25.0–300.0 mmol). Monodispersed BaCr₂(P₂O₇)₂ fine particles with a mean size of 44.0 nm were synthesised at a low temperature of 170 °C for 6 h with 0.5 M NaOH solution in the presence of 50.0 mmol urea. The phosphate pigment particle grew to approximately 62.0 nm by increasing the treatment temperature to 240 °C. A secondary dissolution–recrystallisation achieved after 24 h triggered a change in the particle morphology coupled with the incrementation of the concentration of NaOH in the solution. The pyrophosphate BaCr₂(P₂O₇)₂ pigments prepared in this study belong to the green colour spectral space according to the CIELab coordinates measurement, and exhibit 67.5% high near-infrared (NIR) solar reflectance. Full article

Ionic rare earth ores are primarily extracted through in situ shallow well leaching. The leaching solutions engage in a physical–chemical coupling effect with the rare earth ores, which diminishes the strength parameters of weathered ore layers. This reduction in strength leads to a decrease in the stability of the slope and an increased risk of landslides, significantly contributing to instability and damage within rare earth mines. This study employs Geo-Studio 2020 software to analyze the stability of the rare earth mine slope. A seepage field under natural conditions was simulated during dynamic leaching to evaluate the effects of continuous leaching on stress, displacement fields, and slope stability. The results indicate that the safety factor consistently exceeds the requirement of 1.1 throughout the leaching process, suggesting that the studied slope remains overall stable during the leaching and push-water operation stages. However, substantial deformation may occur at the bottom, middle, and upper sections of the slope, particularly in the rare earth ore and at the interfaces between each layer. Damage is predominantly concentrated in the topsoil and the fully weathered granite zone. Over time, the slope safety factor initially decreases before subsequently increasing. Consequently, targeted landslide prevention measures are essential during the mid to late stages of leaching. Based on the analytical results, measures to enhance slope stability have been proposed, providing theoretical guidance for slope management in in situ leaching mining sites for ionic rare earth ores. Full article

Piezoelectric polymer composites, particularly polyvinylidene fluoride (PVDF) blended with barium titanate (BT), show promise for wearable technologies as both energy harvesters and haptic actuators. However, these composites typically exhibit limited electromechanical coupling and insufficient β-phase formation. This study presents a novel approach using ionic liquids (ILs) to enhance PVDF-based piezoelectric composite performance. Through solution-casting methods, we examined the effect of IL concentration on the structural, mechanical, and piezoelectric properties of PVDF/BT composites. Results demonstrate that the use of IL significantly improves β-phase crystallization in PVDF while enhancing electrical properties and mechanical flexibility, which are key requirements for effective energy harvesting and haptic feedback applications. The optimized composites show a 25% increase in β-phase content, enhanced flexibility, and a 100% improvement in piezoelectric voltage output compared to other more conventional PVDF/BT systems. The IL-modified composite exhibits superior piezoelectric response, generating an output voltage of 9 V and an output power of 40.1 µW under mechanical excitation and a displacement of 138 nm when subjected to 13 V peak-to-peak voltage, making it particularly suitable for haptic interfaces. These findings establish a pathway toward high-performance, flexible piezoelectric materials for multifunctional wearable applications in human–machine interfaces. Full article

Recent bioassay studies have unexpectedly supported the high (computationally predicted) binding affinities of angiotensin receptor blockers (ARBs) at α-adrenergic receptors (αARs) in isolated smooth muscle. Computational predictions from ligand docking studies are consistent with very low concentrations of ARBs (e.g., sartans or bisartans) that partially reduce (20–50%) the contractile response to phenylephrine, suggesting that some ARBs may function as partial inverse agonists at αARs. Virtual ligand screening (docking) and molecular dynamics (MD) simulations were carried out to explore the binding affinities and stabilities of selected non-peptide ligands (e.g., ARBs and small-molecule opioids) for several G-protein coupled receptor (GPCR) types, including angiotensin II (AngII) type 1 receptor (AT₁R), α1AR, α2AR, and μ-(µOR) and ժ-opioid receptors (ժOR). Results: All ligands docked preferentially to the binding pocket on the cell surface domain of the GPCR types investigated. Drug binding was characterized by weak interactions (hydrophobic, hydrogen bonding, pi-pi) and stronger ionic and salt-bridge interactions (cation-pi and cation-anion interactions). Ligands specific to each GPCR category showed considerable cross-binding with alternative GPCRs, with small-molecule medications appearing less selective than their peptide or ARB functional equivalents. ARBs that exhibit higher affinities for AT₁R also demonstrate higher affinities for µORs and ժORs than opiate ligands, such as fentanyl and naltrexone. Moreover, ARBs had a higher affinity for αARs than either alpha agonists (epinephrine and phenylephrine) or inhibitors (prazosin and doxazosin). MD simulations of membrane-embedded ARB-GPCR complexes proved stable over nanosecond time scales and suggested that some ARBs may behave as agonists or antagonists depending on the GPCR type. Based on the results presented in this and related investigations, we propose that agonists bind to the resting A-site of GPCRs, while inverse agonists occupy the desensitizing D-site, which partial agonists like morphine and fentanyl share, contributing to addiction. ARBs block both AngII and alpha receptors, suggesting that they are more potent antihypertensive drugs than ACE inhibitors. ARBs have the potential to inhibit morphine tolerance and appear to disrupt receptor desensitization processes, potentially by competing at the D-site. Our results suggest the possible therapeutic potential of ARBs in treating methamphetamine and opiate addictions. Full article

The core challenge of integrated carbon capture and utilization (ICCU) technology lies in developing electrolytes that combine efficient carbon dioxide (CO₂) capture with electrocatalytic conversion capabilities. This review analyzes the structure–performance relationship between electrolyte properties and CO₂ electrochemical reduction (eCO₂RR), revealing the key regulatory mechanisms. Research shows that the performance of bicarbonate electrolytes heavily depends on the cation type, where Cs⁺ can achieve over 90% CO selectivity by suppressing the hydrogen evolution reaction (HER) and stabilizing reaction intermediates, though its strong corrosiveness limits practical applications. Although amine absorbents excel in carbon capture (efficiency > 90%), they tend to undergo competitive adsorption during electrocatalysis, making formic acid the primary product (FE = 15%); modifying electrodes with ionomers can enhance their activity by 1.15 times. Ionic liquids (ILs) demonstrate unique advantages due to their tunability: imidazolium-based ILs improve formate selectivity to 85% via carboxylate intermediate formation, while amino-functionalized task-specific ILs (TSILs) achieve a 1:1 stoichiometric CO₂ absorption ratio. Recent breakthroughs reveal that ternary IL hybrid electrolytes can achieve nearly 100% CO Faradaic efficiency (FE) through microenvironment modulation, while L-histidine additives boost CH₄ selectivity by 23% via interface modification. Notably, constructing a “bulk acidic–interfacial neutral” pH gradient system addresses carbonate deposition issues in traditional alkaline conditions, increasing C₂₊ product efficiency to 50%. Studies also highlight that cation–anion synergy (e.g., K⁺/I⁻) significantly enhances C-C coupling through electrostatic interactions, achieving 97% C₂₊ selectivity on Ag electrodes. These findings provide new insights for ICCU electrolyte design, with future research focusing on machine learning-assisted material optimization and reactor engineering to advance industrial applications. Full article

Polymer electrolytes (PEs) provide enhanced safety for high–energy–density lithium metal batteries (LMBs), yet their practical application is hampered by intrinsically low ionic conductivity and insufficient electrochemical stability, primarily stemming from suboptimal Li⁺ solvation environments and transport pathways coupled with slow polymer dynamics. Herein, we demonstrate a molecular design strategy to overcome these limitations by regulating the Li⁺ solvation structure through the synergistic interplay of conventional Lewis acid–base coordination and engineered hydrogen bond (H–bond) networks, achieved by incorporating specific H–bond donor functionalities (N,N′–methylenebis(acrylamide), MBA) into the polymer architecture. Computational modeling confirms that the introduced H–bonds effectively modulate the Li⁺ coordination environment, promote salt dissociation, and create favorable pathways for faster ion transport decoupled from polymer chain motion. Experimentally, the resultant polymer electrolyte (MFE, based on MBA) enables exceptionally stable Li metal cycling in symmetric cells (>4000 h at 0.1 mA cm⁻²), endows LFP|MFE|Li cells with long–term stability, achieving 81.0% capacity retention after 1400 cycles, and confers NCM622|MFE|Li cells with cycling endurance, maintaining 81.0% capacity retention after 800 cycles under a high voltage of 4.3 V at room temperature. This study underscores a potent molecular engineering strategy, leveraging synergistic hydrogen bonding and Lewis acid–base interactions to rationally tailor the Li⁺ solvation structure and unlock efficient ion transport in polymer electrolytes, paving a promising path towards high–performance solid–state lithium metal batteries. Full article

Colloidal silica can seep through calcareous sand in the subgrade, forming colloidal-silica-cemented sand with self-sensing ability—that is, it is sensitive to stress changes caused by vehicle loading. Its self-sensing sensitivity is higher than that of traditional Portland-cement-based self-sensing materials. The self-sensing mechanism is attributed to the ionic conductive network formed by seawater. However, a change in tidal water level causes an unsaturated state, and foundation deformation leads to cracking of the roadbed. The effect of unsaturation and cracking on self-sensing remains unclear, and they have not been studied in the previous literature. The aim of this paper is to study the self-sensing ability of subgrades formed via colloidal-silica-cemented sand under unsaturated and cracked states, as well as to explore the underlying mechanisms. Specimens with different degrees of saturation and different levels of joint roughness in precracks were prepared; then, the self-sensing ability was tested using the four-electrode method for each specimen under cyclic stress loading. NMR (nuclear magnetic resonance) and an unsaturated triaxial apparatus were also used to investigate the underlying mechanisms. This paper discovers that (1) either unsaturation or crack alone can increase self-sensing, but their self-sensing sensitivities are on the same order; (2) under the coupled effect of unsaturation and cracking, the self-sensing sensitivity increases by one order of magnitude, which is higher than when only unsaturation or cracking exists; and (3) the joint roughness of precracks does not affect self-sensing in the saturated state, but it affects self-sensing dramatically in the unsaturated state. The NMR test demonstrated the conductive ionic water within nanopores, which forms the conductive network for self-sensing. Unsaturation causes suction-induced shrinkage based on the unsaturated triaxial apparatus, while unsaturation increases self-sensing sensitivity, indicating that shrinkage is accompanied by self-sensing improvement. This paper provides the effects of unsaturation and cracking on the self-sensing capabilities of colloidal-silica-cemented sand, and the findings can contribute to the knowledge of subgrades formed via colloidal-silica-cemented sand for stress-sensing under traffic loading. Full article

Multireference configuration interaction (MRCI), Davidson-corrected MRCI (MRCI+Q), coupled-cluster singles, doubles, and perturbative triples [CCSD(T)], and frozen-core full configuration interaction (fcFCI) calculations were carried out using large, correlation-consistent basis sets to investigate the excited states of the Sc atom and the spin–free and spin–orbit coupled potential energy profiles, energetics, spectroscopic constants, and electron populations of low-lying states of MH⁺ (M = Sc, Y, La). The core electron correlation effects, complete basis set effects, and spin–orbit coupling effects were also evaluated. The first four electronic states of all MH⁺ are 1²Δ, 1²Σ⁺, 1²Π, and 2²Σ⁺ with 1σ²1δ¹, 1σ²2σ¹, 1σ²1π¹, and 1σ²3σ¹ single-reference electron configurations, respectively. These states of MH⁺ can be represented by the M²⁺H^– ionic structure. The ground states of ScH⁺, YH⁺, and LaH⁺ are 1²Δ_3/2, 1²Σ⁺_1/2, and 1²Δ_3/2 with 55.45, 60.54, and 62.34 kcal/mol bond energies, respectively. The core electron correlation was found to be vital for gaining accurate predictions on the ground and excited state properties of MH⁺. The spin–orbit coupling effects are minor for ScH⁺ but become substantial moving to YH⁺ and LaH⁺. Overall, the results of this work are in good agreement with the limited set of experimental findings of MH⁺ available in the literature and will be of use for future investigations. Furthermore, the theoretical approaches, findings, and trends reported here are expected to aid studies of similar species. Full article

The performance degradation of sodium-ion batteries (SIBs) in extremely low-temperature conditions has faced significant challenges for energy storage applications in extreme environments. This review systematically establishes failure mechanisms that govern the performance of low-temperature SIBs, including significantly increased electrolyte viscosity, lattice distortion and adverse phase transitions in electrodes, and sluggish desolvation kinetics at the solid electrolyte interface. Herein, we specifically summarize a series of multi-scale optimization strategies to address these low-temperature challenges: (1) optimizing low-freezing-point solvent components and regulating solvation structures to increase ionic diffusion conductivity; (2) enhancing the hierarchical structure of electrodes and optimizing electron distribution density to improve structural stability and capacity retention at low temperatures; and (3) constructing an inorganic-rich solid electrolyte interphase to induce uniform ion deposition, reduce the desolvation barrier, and inhibit side reactions. This review provides a comprehensive overview of low-temperature SIB applications coupled with advanced characterization and first-principles simulations. Furthermore, we highlight solvation-shell dynamics, charge transfer kinetics, and metastable-phase evolution at the atomic scale, along with the critical pathways for overcoming low-temperature limitations. This review aims to establish fundamental principles and technological guidelines for deploying advanced SIBs in extreme low-temperature environments. Full article

The chemical extraction of rare-earth elements (REEs) from Estonian graptolite-argillite (GA) and phosphate rock (Phosphorite, PH) samples has been conducted and analyzed. For the initial leaching process, HCl and HNO₃ with different concentrations were used to extract REEs from GA and PH. Different extraction agents, including ionic liquids, were examined for the extraction of REEs from acidic aqueous solutions in the liquid–liquid extraction step. After leaching and extraction, all samples were characterized using the inductively coupled plasma mass spectrometry method (ICP-MS/MS). The highest REE extraction efficiencies from GA were established with 1-ethyl-3-methyl imidazolium diethyl phosphate (EMImDEPO₄) and from PH using bis(2-ethylhexyl) phosphate (D2EHPA). Full article

The electrocatalytic CO₂ reduction reaction (CO₂RR) into value-added multi-carbon C₂₊ products holds significant promise for sustainable chemical synthesis and carbon-neutral energy cycles. Among the various strategies developed to enhance CO₂RR, the use of ionic liquids (ILs) has emerged as a powerful approach for modulating the local microenvironment and electronic structure of Cu-based metal catalysts. In this study, to unravel the molecular-level mechanisms underlying these enhancements, density functional theory calculations (DFTs) were employed to systematically explore how ILs with different terminal groups modulate the electronic reconstruction of the Cu surface, further affecting the *CO–*CO coupling and product selectivity. Electronic structure analyses reveal that ILs bearing polar moieties (–SH, –COOH) can synergistically enhance the interfacial electron accumulation and induce an upshift of the Cu d-band center, thereby strengthening *CO adsorption. In contrast, nonpolar IL (CH₃) exhibits negligible effects, underscoring the pivotal role of ILs’ polarity in catalyst surface-state engineering. The free energy diagrams and transition state analyses reveal that ILs with polar groups significantly lower both the reaction-free energy and activation barrier associated with the *CO–*CO coupling step. This energetic favorability selectively inhibits the C₁ product pathways and hydrogen evolution reaction (HER), further improving the selectivity of C₂ products. These theoretical insights not only unveil the mechanistic origins of IL-induced performance enhancement but also offer predictive guidance for the rational design of advanced IL–catalyst systems for efficient CO₂ electroreduction. Full article