Search Results (4,752)

Due to the strong electronegativity of oxygen ions, the valence band maximum (VBM) that is derived from the O 2p orbital leads to strong localization, as well as further heavy hole mass and low hole mobility, which makes it extremely difficult to obtain high-conductivity p-type transparent conductive materials. Herein, we propose the strategy of multiple anions through the introduction of weaker electronegative nitrogen, in consideration of the delocalization on VBM, as well as the stability of octahedral anion cages. As such, first-principles calculations in the framework of density functional theory (DFT) are used for this work. Crystal structure prediction software USPEX (version 2023.0) was adopted to investigate the N-O appropriate ratio in CaTiO_3−xN_x (0 ≤ x ≤ 1) to balance the high transmission of light and highly favorable dispersion at the VBM. Furthermore, the p-type TCO performance of CaTiO_3-xN_x was evaluated based on the hole effective mass, hole mobility, and conductivity. The effectiveness of modulating p-type TCO through N-O multiple anions was also evaluated through defect formation energy and ionization energy. Ultimately, the construction of a CaTiO_3-xN_x/Si heterojunction and band alignment were considered for practical application. This approach attempts to boost the diversity of p-type perovskite-based TCOs and opens a new perspective for engineering and innovative material design for sustainable TCOs demand. Full article

This work investigated the impact of vehicle-to-grid (V2G) cycling on the service life of lithium-ion cells, using real-world V2G data from commercial electric vehicle (EV) battery chargers. Commercially available cylindrical lithium-ion cells were subjected to long-term storage and V2G cycling under varying state of charge (SOC), depth of discharge (DOD), and temperature conditions. The ageing results demonstrate that elevated temperature (40 °C) is the dominant factor accelerating degradation, particularly at a high storage SOC (>80% SOC) and increased cycle depths (30–80% SOC, 30–95% SOC). A comparison between V2G cycling and calendar ageing over a similar storage period revealed that shallow V2G cycling (30–50% SOC) leads to comparable capacity fade to storage at a high SOC (≥80% SOC). The comparative analysis indicated that 62% of a full equivalent cycle (FEC) of V2G cycling can be achieved daily, without compromising the cell’s lifetime, demonstrating the viability of V2G adoption during EV idle/charging periods, which can offer potential operational benefits in terms of cost reduction and emissions savings. Furthermore, this work introduced the concept of a V2X capability metric as a novel cell-level specification, along with a corresponding experimental evaluation method. Full article

The development of lithium-ion batteries for electric vehicles and other applications requires numerous complex and time-consuming research efforts. Numerical modeling can significantly reduce both the scope and duration of laboratory testing by enabling rapid prediction of cell behavior under various operating conditions. In this study, it is demonstrated that the parameters of the Newman–Tiedemann–Gu–Kim (NTGK) battery model can be determined using only extreme discharge current values, omitting intermediate currents. This approach increases the average voltage error by 0.23% but reduces the average temperature error by 0.22%. Additionally, the use of limited experimental data leads to extrapolation errors at an 8 A discharge current from 1.20% to 0.65% for voltage and from 7.04% to 5.78% for temperature. Furthermore, the proposed model enables accurate prediction of the state of charge (SoC) and battery temperature evolution without additional measurements under realistic driving conditions, such as the Worldwide Harmonized Light-Duty Vehicle Test Cycle (WLTC). Full article

Concrete structures suffering from Mg²⁺ environments may suffer severe damage, which mainly has something to do with the coupled effect among Cl⁻, SO₄²⁻, and Mg²⁺. Based on a systematic review of Web of Science and Scopus database (2000–2025), we first summarized the migration behavior, reaction paths, and interaction mechanism of Cl⁻, SO₄²⁻, and Mg²⁺ in cementitious matrices. Secondly, from the perspective of Cl⁻ cyclic adsorption–desorption breaking the passivation film of steel bars, SO₄²⁻ generating expansion products leads to crack expansion, then Mg²⁺ decalcifies C-S-H and transforms into M-S-H; we analyzed the main damage mechanisms, respectively. In addition, under the coexistence conditions of three kinds of ions, the “fixation–substitution–redissolution” process and “crack–transport” coupling positive feedback mechanism further increase the development rate of damage. Then, some anti-corrosion measures, such as mineral admixtures, functional chemical admixtures, fiber reinforcements, surface coatings, and new binder systems, are summarized, and the pros and cons of different anti-corrosion technologies are compared and evaluated. Lastly, from two aspects of simulation prediction for the coupled corrosion damage mechanism and service life prediction, respectively, we have critically evaluated the advances and problems existing in the current research on the aspects of ion migration-reaction coupled models, multi-physics coupled frameworks, phase-field methods, etc. We found that there is still much work to be conducted in three respects: deepening mechanism understanding, improving prediction precision, and strengthening the connection between laboratory test results and actual projects, so as to provide theoretical basis and technical support for the durability design and anti-corrosion strategies of concrete in complex Mg²⁺ environments. Full article

To address the problem of serious gas channeling during CO₂ flooding in low-permeability reservoirs, which leads to poor oil recovery, this study developed a CO₂-resistant gel using a novel CO₂-responsive polymer (ADA) for gas channel control. The ADA polymer was synthesized via free-radical copolymerization of acrylamide (AM), dimethylaminopropyl methacrylamide (DMAPMA), and 2-acrylamido-2-methylpropanesulfonic acid (AMPS), which introduced protonatable tertiary-amine groups and sulfonate moieties into the polymer backbone. Comprehensive characterizations confirmed the designed structure and adequate thermal stability of the ADA polymer. Rheological tests demonstrated that the ADA polymer solution exhibits significant CO₂-triggered viscosity enhancement and excellent shear resistance. When crosslinked with phenolic resin, the resulting ADA gel showed outstanding CO₂ tolerance under simulated reservoir conditions (110 °C, 10 MPa). After 600 s of CO₂ exposure, the ADA gel retained over 99% of its initial viscosity, whereas a conventional HPAM-based industrial gel degraded to 61% of its original viscosity. The CO₂-resistance mechanism involves protonation of tertiary amines to form quaternary ammonium salts, which electrostatically interact with sulfonate groups, creating a reinforced dual-crosslinked network that effectively protects the gel from H⁺ ion attack. Core flooding experiments confirmed its ability to enhance oil recovery by plugging high-permeability channels and diverting flow, achieving a final recovery of up to 48.5% in heterogeneous cores. This work provides a novel gel system for improving sweep efficiency and storage security during CO₂ flooding in low-permeability reservoirs. Full article

With the increasing energy density of lithium-ion batteries, the heat dissipation performance of air-cooled battery energy storage cabinets has become a critical determinant of both system performance and service life. This performance depends strongly on the geometry of the airflow channels and their influence on the internal flow distribution. In this study, the internal flow field of a battery energy storage cabinet was analyzed, and the airflow-channel geometry was optimized using the BOBYQA algorithm. The results indicate that the risk of thermal runaway is largely associated with inadequate airflow design, which leads to localized heat accumulation. Geometric optimization of the airflow channels reduced the maximum hotspot temperature from 72.9 °C to 57.6 °C. The hotspots were concentrated at the tops of the battery modules. Modifications to the channel geometry increased the airflow velocity and improved its directionality in these regions, thereby reducing both the hotspot temperature and the extent of the affected area. Moreover, slightly increasing the inlet pressure while reducing the outlet pressure produced a more uniform temperature distribution across the tops of the battery modules. Full article

Neurodegenerative diseases (NDDs), defined by the progressive loss of neurons, present a major challenge to global health. Oxidative stress and lysosomal dysfunction are both key pathogenic factors in NDDs, and they do not operate in isolation; instead, the vicious cycle they form, often mediated through organellar crosstalk, serves as the core driver of the pathological progression of NDDs, collectively worsening disease outcomes. Specifically, excessive reactive oxygen species (ROS) can disrupt lysosomal membrane integrity through lipid peroxidation and inhibit the activity of vacuolar ATPase (V-ATPase), ultimately leading to impaired lysosomal acidification. Meanwhile, lysosomal dysfunction hinders the clearance of damaged mitochondria (the primary endogenous source of ROS), toxic protein aggregates, and free iron ions. This further exacerbates ROS accumulation and accelerates neuronal degeneration. Conventional therapeutic approaches have limited efficacy, primarily due to the challenges in crossing the blood–brain barrier (BBB), insufficient targeting ability, and an inability to effectively intervene in this pathological loop. Nanotherapeutics, leveraging their tunable physicochemical properties and modular functional design, represent a transformative strategy to address these limitations. This review systematically elaborates on the reciprocal interplay between oxidative stress and lysosomal dysfunction in NDDs, with a particular focus on the central role of lysosome-mitochondria axis dysfunction, critically appraises recent advances in nanotechnology-based targeted therapies, and thereby provides a comprehensive theoretical framework to guide the development of novel NDD therapeutics. Full article

Focused Ion Beam (FIB) systems are increasingly utilized in nanotechnology for nanostructuring, surface modification, doping, and rapid prototyping. Recently, their potential for quantum applications has been explored, leveraging FIB’s direct-write capabilities for in situ single ion implantation, which is crucial for fabricating single photon emitters. Color centers in diamond can function as qubits and are of particular interest due to their capacity to store and transmit quantum information. While Group-IV color centers exhibit high brightness, they require low temperatures to retain coherence. However, lead-vacancy in diamond (PbV) operates at the higher end (4 K) of this temperature spectrum due to larger ground-state splitting, making them particularly interesting. In this context, our study presents results for lead (Pb)-containing alloys with eutectic points below 600 °C and results on using tantalum (Ta) and titanium (Ti) as emitter materials for a Pb liquid metal alloy ion source. We show that a standard FIB system is able to resolve the different Pb isotopes and achieve nanoscale spot sizes, as required for quantum information science applications. Full article

Electrochemical deposition of gold from a sulfite-thiosulfate electrolyte was studied on GaAs–TiAu substrates using polarization curve measurements, gold layer morphology analysis (AFM), and current efficiency determination in the temperature range of 20–65 °C. It was found that increasing the temperature to 50–65 °C makes it possible to raise the gold deposition current density from 2 to 7 mA/cm² while maintaining a current efficiency close to 100% and obtaining compact coatings with a surface root mean square roughness Sq of 6–8 nm. The activation energy of the process is 20–25 kJ/mol. It was shown that electrochemical conditioning of the electrolyte prevents sulfur precipitation, whereas the introduction of excess sulfite ions dissolves the sediment but leads to poorer coating quality. Thus, the feasibility of electrolyte regeneration has been demonstrated, and optimal gold deposition regimes have been determined: 7 mA/cm² at 50 °C and 10 mA/cm² at 65 °C. Full article

The interaction of metals with serum γ-globulins is of particular interest, as it can modulate immune system function and lead to unforeseen consequences following the intake of metal ions or their complexes, which are often considered (pro)drugs. This paper focuses on the interactions between gold(III) species and bovine or human serum γ-globulins in aqueous solutions. Using UV-Vis, fluorescence, and CD (circular dichroism) spectroscopy in diluted or 0.1 M NaCl aqueous solutions, we determined the most probable stoichiometry of the gold(III)-protein associates and their conditional binding constants. On average, 13 to 19 gold atoms bind per protein molecule, depending on the medium and protein origin, with apparent binding constants ranging from 3.6 to 4.6 (log K values; hydroxyl-containing complexes exhibit lower binding affinity). CD spectra revealed no changes in protein secondary structure induced by the increase in electrolyte concentration. However, the addition of gold(III) species resulted in a decrease in β-sheet content and a corresponding increase in turns or disordered fragments. Full article

Resin curing coating is an effective approach to mitigate the intrinsic defects of lignocellulosic biomass-derived hard carbon, which facilitates its large-scale application in sodium-ion batteries due to their improved specific capacity, initial coulombic efficiency, and carbon yield. However, current traditional curing processes suffer from issues such as uneven cross-linking encapsulation and long curing cycles, significantly affecting the electrochemical performance of the derived carbon and production efficiency/cost. In this study, a phenolic resin solution impregnation combined with microwave-accelerated curing has been employed, and its curing process, along with the electrochemical performance of the derived carbon, was investigated. The results show that uniformly phenolic resin-coated bamboo could be achieved within 120 s. A dense cross-linked network not only leads to a high hard carbon yield and low specific surface area but also creates an abundant pseudographene-like structure with more closed pores. Under optimal crosslinking conditions, the obtained hard carbon sample shows a significantly enhanced reversible capacity (371.73 mAh g⁻¹) and high initial coulombic efficiency of 84.54%, far exceeding the bamboo-derived hard carbon (229.23 mAh g⁻¹, 74.90%) and the hard carbon sample prepared by traditional heating curing (304.31 mAh g⁻¹, 80.63%). Additionally, the designed sample displays excellent structural stability, maintaining 80% of their capacity after 500 cycles at a high current density of 300 mA g⁻¹. This fast and simple resin coating strategy shows great potential for the scalable synthesis of high-performance hard carbon anode materials. Full article

Improper disposal of granite sawdust from stone processing and heavy metal-containing tailings sand can pose severe threats to the environment and human health. Based on their physicochemical properties, granite sawdust was used to synthesize a zeolite-based stabilizer (GFAS) for immobilizing lead (Pb) and zinc (Zn) in tailings waste. The stabilizer was prepared through an alkali fusion–hydrothermal method, followed by phosphoric acid modification. Characterization by XRD, SEM-EDS, and BET revealed that GFAS possesses a Na-P1 zeolite structure (Na₆Al₆Si₁₀O₃₂) with a micro-mesoporous texture and a specific surface area of 35.00 m²/g, representing a 10-fold increase over raw sawdust. The cation exchange capacity (CEC) of GFAS reached 57.08 cmol⁺/kg, a 116-fold enhancement. The stabilization mechanism involved synergistic physical adsorption, chemical precipitation (e.g., Pb₃(PO₄)₂, Zn(OH)₂), and ion exchange. This study presents a sustainable “waste-treats-waste” strategy for effectively reducing the mobility of heavy metals in tailings waste, thereby contributing to the remediation of seepage from tailings pond foundations. Full article

This study aims to investigate the effects of Cr and Mo added to Fe-Al alloys on their corrosion behavior in acidic and chloride-containing environments. Corrosion tests were carried out in 0.5 M H₂SO₄ and 3.5 wt.% NaCl aerated aqueous solutions. X-ray diffraction analyses reveal that all alloys exhibited predominantly body-centered cubic structures in the homogenized states. In the 0.5 M H₂SO₄ solution, the addition of Cr can effectively reduce the critical current density; however, the anodic and cathodic polarization curves still intersected three times, similar to the alloy without the addition of Cr, resulting in three corrosion potentials. With the further addition of Mo, the critical current density became much lower, leading to a single corrosion potential. In the 3.5 wt.% NaCl solution, the addition of Cr alone markedly improved the pitting resistance of Fe-Al alloys, while the further addition of Mo broadened the passive region and increased the pitting potential. The analysis of ion concentrations was consistent with the potentiodynamic polarization results, verifying the stabilization of Mo on the passive film. It is evident that the addition of Cr promotes passivation of the Fe-Al alloy, and the further incorporation of Mo enhances this effect even more significantly. The related corrosion mechanisms are discussed with Nerst equations of metal–metal oxides and their solubility products (K_sp). Full article

The production and use of Li-ion batteries (LIBs) is steadily increasing each year, leading to a growing number of battery-powered products. Consequently, the number of chemical hazards associated with the operation and other stages of the life cycle of this type of cell is increasing as well. Therefore, this study examined the impact of selected extinguishing agents for extinguishing Li-ion battery fires—namely, a dedicated extinguishing granulate, a natural sorbent (exfoliated vermiculite), and quartz sand—on the level of heat and released substances. The study determined the emission of heavy metals and polycyclic aromatic hydrocarbons (PAH) into the air during a cell fire, the concentration of the inhalable aerosol fraction, and the concentration of hazardous substances in the extinguishing agent residue. The analysis concluded that quartz sand provides the most effective heat removal and insulation of the battery from the external environment, which also reduces the amount of pollutants released into the environment. Full article

Heavy metals (arsenic, cadmium, and lead) remain one of the most common and complex environmental problems worldwide. Accordingly, there is a growing need for eco-friendly and affordable materials derived from agricultural waste for the removal of heavy metals from contaminated water. This study aims to demonstrate how biodegradable pineapple leaf cellulose (PLC) can be used effectively in the remediation of heavy metals. The PLC adsorbent was prepared by treating it with ethyl alcohol (EtOH, 99.5%), calcium chloride (CaCl₂), and 0.8 M sodium hydroxide. A scanning electron microscope equipped with energy-dispersive X-ray spectroscopy (SEM-EDS) and Fourier transform infrared spectroscopy (FT-IR) was used to investigate the surface of the adsorbent. Inductively coupled plasma mass spectrometry (ICP-MS) was employed to measure the concentration of metals before and after adsorption. Removal of metal ions (As⁵⁺, Cd²⁺, and Pb²⁺) by PLC was investigated under varying conditions, including pH, contact time, and adsorbent dosage. The analysis of cellulose composite revealed significant potential for adsorption of heavy metals such as As⁵⁺, Cd²⁺, and Pb²⁺. The highest removal efficiency of heavy metal ions was detected at a pH ranging from 3 to 7. The biosorption order of PLC at pH 6 was Pb²⁺ > Cd²⁺ > As⁵⁺ with 99.53% (63.45 mg/g), 98.44% (37.23 mg/g), and 42.40% (16.27 mg/g), respectively. After 120 min, the equilibrium of the adsorption process was reached for As⁵⁺, Cd²⁺, and Pb²⁺. FT-IR characterization discovered an increased abundance of functional groups on the adsorbent. The SEM-EDS analysis confirmed the occurrence of elements on the surface of PLC. The study revealed that the use of PLC is an innovative method for removing heavy metals from aquatic milieus, a potential resource for eco-friendly and affordable wastewater treatment. Full article