High Capacity Performance Research Articles

Mechanisms of Enhanced Electrochemical Performance by Chemical Short-Range Disorder in Lithium Oxide Cathodes.

LiCoO2 has been one of the dominant cathode materials commercially used in rechargeable lithium-ion batteries, while the performance is severely limited by its low reversible capacity (∼140 mAh/g), primarily due to the destructive phase transitions at high voltages (>4.2 V vs Li/Li+), leading to structural degradation and rapid decay of capacity. A recent experimental study [Wang et al. Nature 2024, 629, 341] showed that chemical short-range disorder (CSRD) in LiCoO2 can effectively prevent phase transitions and structural deterioration. To better understand the underlying mechanisms, we carry out a theoretical study on CSRD-based LiCoO2 by performing ab initio molecular dynamics simulations accelerated by machine learning and find that CSRD effectively suppresses phase transitions from hexagonal to monoclinic at Li0.5CoO2 and from O3 to H1-3 at Li0.25CoO2. The enhanced phase stability is attributed to the reduced lattice variation in the c-axis, the increased oxygen vacancy formation energies, the higher oxygen dimer formation energies, and the stabilization of Co atoms in the Li layers during delithiation. The high Li+ diffusion coefficients are found to arise from the low-barrier 0-TM diffusion channels and an expanded diffusion network from 2D to quasi-3D induced by CSRD. Furthermore, CSRD narrows the band gap of LiCoO2 with enhanced electronic conductivity, driven by the changes in the Co valence state and the introduction of linear Li-O-Li configurations. Equally important, CSRD can also enhance the stability of Li-rich cathode Li1.2Co0.8O2 for high capacity and excellent cycling performance. This work provides theoretical insights into the effects of CSRD on LiCoO2 and Li-rich cathodes for rational design and synthesis.

Boosting Capacitive Deionization in MoS2 via Interfacial Coordination Bonding and Intercalation-Induced Spacing Confinement.

Capacitive deionization (CDI) is a green and promising technology for seawater desalination, with its capacity and industrial application being severely hindered by efficient electrode materials. Layered molybdenum disulfide (MoS2) has garnered significant attention for CDI applications, while its performance is hampered by weak surface hydrophilicity, high interfacial resistance, and sluggish electron transport. Herein, we introduce an interfacial and intercalation dual-engineering strategy by covalently functionalizing the hydrophilic pyridine groups within the 1T-MoS2 layer (Py-MoS2); an electron-rich interface with an expanded interlayer spacing has been achieved synergistically. A state-of-the-art high desalination capacity of 43.92 mg g-1 and exceptional cycling stability have been achieved, surpassing all of the reported existing MoS2-based CDI electrodes. Comprehensive characterization and theoretical modeling reveal that covalently engineered pyridine groups enhance ion affinity via interfacial coordination, accelerate charge transfer, and expand ion-accessible sites within the MoS2 interlayer spacing through intercalation-induced structural modulation. These synergistic effects dramatically boost the ion adsorption kinetics, mass transfer efficiency, and salt ion uptake capacity within Py-MoS2 for CDI application. Our work presents an interfacial and intercalation dual-engineering strategy to promote the seawater desalination of 2D materials, paving new insights for next-generation high-performance CDI electrode development.

Physical reservoir computing with graphene-based solid electric double layer transistor and the information processing capacity analysis

Abstract Physical reservoir computing (PRC) is helpful for power reduction in machine learning technology, although the challenge is to improve computational performance. In this study, we developed a PRC device utilizing ion-electron coupled dynamics in an electric double layer transistor (EDLT) consisting of monolayer graphene channels and Li+ conducting inorganic oxide thin film. The ambipolar transfer characteristics of graphene channels in the EDLT obtained complex and diverse drain current responses, providing high information processing capacity and high PRC performance in the nonlinear autoregressive moving average (NARMA) task.

Cu3.21Bi4.79S9: Bimetal superionic strategy boosts ultrafast dynamics for Na-ion storage/extraction

Cu3.21Bi4.79S9: Bimetal superionic strategy boosts ultrafast dynamics for Na-ion storage/extraction

Chitosan as carbon skeleton for enhancing the high capacitive performance of Mn3O4 electrode for supercapacitor

Chitosan as carbon skeleton for enhancing the high capacitive performance of Mn3O4 electrode for supercapacitor

Seismic Performance Evaluation of Reinforced Concrete Frame–Shear Wall Structural Systems in Thermal Power Plants

The seismic performance of an electric power system is crucial for maintaining the functionality of urban communities following an earthquake. In thermal power plants, the RC frame–shear wall structure plays a key role in providing seismic resistance to the main building’s longitudinal structural system. This study presents the results of a series of pseudo-dynamic tests on a two-span, four-story frame–shear wall model with a scale of 1/8. The prototype structure was a seven-story, seven-bay longitudinal RC frame–shear wall from the main workshop of a large thermal power plant. The cracking process, yielding sequence, hysteresis curves, and skeleton curve were obtained. Based on the test results, the energy dissipation, equivalent viscous damping coefficient, ductility and deformation, stiffness degradation, dynamic response, and displacement response were analyzed. The results showed that the RC frame–shear wall structure exhibits a high energy dissipation capacity and excellent seismic performance, and the shear wall significantly influences the structural bearing capacity and deformation performance. These findings offer valuable guidance for the seismic design of RC frame–shear wall structures in high-rise and large factory buildings. As the shear wall absorbs the majority of seismic forces and minimizes the concentration of plastic deformation, strengthening critical weak areas—such as increasing the horizontal distribution of rebars or improving the concrete strength at the shear wall base—can enhance overall structural performance and seismic resilience in industrial buildings subject to seismic loading.

The Use of Hierarchical Temporal Memory and Temporal Sequence Encoder for Online Anomaly Detection in Industrial Cyber-Physical Systems

This study introduces a novel, practical approach for designing a hierarchical online anomaly detection system for industrial cyber-physical systems. The proposed method utilizes the Hierarchical Temporal Memory (HTM) unsupervised learning algorithm, which requires data to be encoded as sparse binary distributed representations (SDRs). A new SDR encoding method termed the temporal sequence encoder (TSSE) is presented to convert system outputs into SDRs. This approach enables HTM to retain high memory capacity and robust performance when processing data streams of slowly varying physical measurements, typical of many industrial processes. The effectiveness of the proposed system is demonstrated on the Secure Water Treatment (SWaT) dataset, which comprises data collected from a fully operational, scaled-down water treatment plant. The system achieves a recall of 0.906, a precision of 0.935, and an F1 score of 0.92 on SWaT. Compared to previous methods, our approach achieves state-of-the-art recall (~5.3% improvement), along with competitive precision and F1 score, by learning in an online manner without the need for expensive dataset collection, labeling, or retraining phases. These findings suggest that the proposed online anomaly detection method can be effectively applied to a broad range of water treatment and large-scale industrial cyber-physical systems.

Tuning Dual Catalytic Active Sites of Pt Single Atoms Paired with High-Entropy Alloy Nanoparticles for Advanced Li-O2 Batteries.

To achieve a long cycle life and high-capacity performance for Li-O2 batteries, it is critical to rationally modulate the formation and decomposition pathway of the discharge product Li2O2. Herein, we designed a highly efficient catalyst containing dual catalytic active sites of Pt single atoms (PtSAs) paired with high-entropy alloy (HEA) nanoparticles for oxygen reduction reaction (ORR) in Li-O2 batteries. HEA is designed with a moderate d-band center to enhance the surface adsorbed LiO2 intermediate (LiO2(ads)), while PtSAs active sites exhibit weak adsorption energy and promote the soluble LiO2 pathway (LiO2(sol)). An optimal ratio between LiO2(ads) and LiO2(sol) pathway was realized to modulate PtSAs and HEA active sites via regulating the etching conditions in the dealloying synthesis process for obtaining high-performance Li-O2 batteries. The ORR kinetics are accelerated, and the parasitic reactions are restrained in the Li-O2 batteries. As a result, Li-O2 batteries based on the HEA@Pt-PtSAs catalyst demonstrate an ultralow overpotential (0.3 V) and ultralong cycling performance of 470 cycles at 1000 mA g-1. The insights into the synthetic strategies and the importance of balancing the ORR pathways will offer guidance for devising multisite synergistic catalysts to accelerate redox-reaction kinetics for Li-O2 batteries.

Effect of Major Impurity in the Vanadium‐Rich Solution on the Growth of NaV2O5 Crystals under Hydrothermal Conditions

NaV2O5 is a promising cathode material for ion batteries with high capacity and good cycle performance. The high concentration of vanadium and low impurity in vanadium‐rich solution makes it possible to be used as raw material for vanadium product preparation. Vanadium solution containing impurity was prepared to investigate its influence mechanism on NaV2O5 crystal precipitation. The influence of four major impurity elements on the precipitation of NaV2O5 following the order of P > Al > Si > Fe. With the increase of impurity concentrations, vanadium conversion rate and V content of the precipitates decreased to varying degrees, while impurity content increased. When concentrations of Fe, Al and Si were high, the resulting precipitate was still NaV2O5, but the crystal structure changed. The AlOH and SiOH hider the condensation between VOH and broke the rod into irregular flakes and blocks. As P concentration gradually increased, the precipitates changed from NaV2O5 to VO2(H2O) 0.5 and then to Na3.053((V5O9)(PO4)2(OH)0.1(H2O)8, meanwhile, the morphologies changed from rod to plate, then to cross‐like, and finally to cube. Revealing the influence of impurity in vanadium‐rich solution on the growth of NaV2O5 crystal is conducive to the popularization of the process.

W/WO3/TiO2 Multilayer Film with Elevated Electrochromic and Capacitive Properties.

Electrochromic capacitors, which are capable of altering their appearances in line with their charged states, are drawing substantial attention from both academia and industry. Tungsten oxide is usually used as an electrochromic layer material for electrochromic devices, or as an active material for high-performance capacitor electrodes. Despite this, acceptable visual aesthetics in electrochromic capacitors have almost never been achieved using tungsten oxide, because, in its pure form, this compound only displays a onefold color modulation from transparent to blue. Herein, we have designed W/WO3/TiO2 multilayer films by a magnetron sputtering device. The impact of TiO2 layer on the optical and electrochemical properties was investigated. The results show that the optimum thickness of the TiO2 layer is 10 nm. The as-prepared film displays a high coloration efficiency (CE) of 74.2 cm2 C-1, a high areal capacitance of 32.0 mF/cm2, an excellent rate performance (with the areal capacitance still retaining 87% of the maximum capacitance at a current density of 1 mA/cm2), and a high cycle life (with a capacity retention of 91% after 1000 cycles).

A tin-based composite oxide confined by reduced graphene oxide as a high-rate anode for sodium-ion capacitors

Sn2P2O7/rGO composites were synthesized using a molecular grafting strategy, enhancing stability through strong adhesion. Sn2P2O7/rGO-based SIBs show high capacity and rate performance, while SICs exhibit excellent rate capability and energy density.

Toward high-performance rechargeable magnesium batteries with a Cu2Se-CTAB nanoparticle cathode and Mg[B(HFIP)4]2/DME electrolyte.

Developing advanced cathode materials effectively enhances the electrochemical performance of rechargeable magnesium batteries (RMBs). Herein, we designed a CTAB-assisted hydrothermal method to construct Cu2Se nanoparticles as the cathode and Mg[B(HFIP)4]2/DME as the electrolyte shows high specific capacity and great cycling performance in RMBs.

Cellulose-based activated carbon aerogels as electrode materials for high capacitance performance supercapacitors

By comparing the types and proportions of activators, the suitable activation conditions for cellulose-based carbon aerogels are determined, and high-energy-density electrode materials are prepared.

Regularized Benders Decomposition for High Performance Capacity Expansion Models

Regularized Benders Decomposition for High Performance Capacity Expansion Models

Exploring the Impact of Nonpatterned Lithium Packing on the High-Capacity Performance of Penta-BSiN

Exploring the Impact of Nonpatterned Lithium Packing on the High-Capacity Performance of Penta-BSiN

Response surface optimization design of coal-derived activated carbon with high capacitance performance using decreased amount of KOH activated agent

ABSTRACT Coal-derived activated carbon (CAC) is considered as an important direction for high-economic utilization and sustainable development of coal resources. However, this process is limited due to the overall promotion of environmental protection. In this paper, CAC was prepared by H2O activation combined with KOH solution impregnation re-activation of Taixi anthracite. The addition of a small amount of KOH (less than 60 wt% of CACI) significantly promoted the pore formation of CAC, and in addition, a high CAC yield (about 56%) was also obtained. The effects of impregnation conditions of KOH on the specific capacitance of CACII were analyzed by response surface optimization, and the optimal preparation parameters (12.5 mol/L, 82°C and 8.3 h) were obtained. The specific capacitance of CACII prepared under this optimal condition is 334.2 F/g because it has a large specific surface area of 1909.92 m2/g and a defect degree greater than 1. KOH activation improves the wettability of CACII by introducing hydroxy groups. The assembled CACII//CACII symmetrical device also has a higher specific capacitance (224.3 F/g at 0.5 A/g) than the commercial YP-50F. At the same time, it also has a high energy density of 31.15 Wh/kg at 500 W/kg. The physical-chemical multi-stage activation method can significantly reduce the consumption of corrosive chemical reagents in the preparation of CAC, which greatly relieves the pressure of equipment and environment, and lays the foundation for the industrial production of CAC.

Electronic Promoter Breaks the Linear Scaling Relationship: Ultra‐Rapid High‐Temperature Synthesis of Heterostructured CoS/SnO2@C as a Bifunctional Oxygen Catalyst for Li‐O2 Batteries

AbstractLi‐O2 batteries urgently needs high discharge capacity and stable cycling performance, requiring effective and reliable bifunctional catalysts for the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER). Herein, Hovenia acerba Lindl‐like heterostructure composed of cobalt sulfide and tin dioxide supported on carbon substrate (CoS/SnO2@C) is prepared via CO2 laser irradiation technology. The half‐wave potential of CoS/SnO2@C for the ORR is 0.88 V, while the overpotential of the OER at 10 mA cm−2 is as low as 270 mV. The Li‐O2 batteries employing the bifunctional CoS/SnO2@C catalyst displays a high discharge specific capacity of 3332.25 mAh g−1 and long cycling life of 226 cycles. Additionally, theory calculations demonstrate that the construction of heterostructure decreases energy barrier of the rate‐determining step (RDS) for both ORR and OER. Notably, SnO2 behaves as the electronic promoter to optimize the electronic structure of heterostructure interface and triggers charge redistribution of CoS, which weakens the adsorption strength of the *O‐intermediates and allows to break the linear scaling relationship, thus further enhancing the catalytic performance of CoS/SnO2@C. This research furnishes directions for the design of heterogeneous catalysts, highlighting its great potential for application in rechargeable Li‐O2 batteries.

Investigating the dielectric characteristics of a nanostructure resembling sumanene through Monte Carlo simulations

ABSTRACT This work explores the dielectric behaviour of a nanostructure resembling Sumanene via Monte Carlo methods, focusing on ground state phase diagrams for mixed spins at different physical conditions using the Blume-Capel Ising model. The blocking temperature (TB ) behaviour was examined under varying exchange coupling interactions and crystal and external electric fields. Hysteresis loops were analysed under the variation of exchange coupling interactions, temperature, and crystal field, revealing multiple polarisation plateaus and loops. These findings highlight the complex interplay between temperature, coupling parameters, and external fields in shaping dielectric behaviour, which was crucial for designing high-performance capacitors, memory devices, sensors, and transistors, advancing next-generation nanoscale dielectric materials.

A stable HOF-embedded alginate hydrogel membrane for selective adsorption of cationic dyes.

Targeted at organic dye pollutants, a stable HOF was combined with an alginate (SA) hydrogel to enhance the affinity for cationic dyes. The as-obtained HOF@SA membrane (weight ratio: 1/1) shows a high adsorption capacity (729.21 mg g-1), adsorption selectivity and good recycling performance towards methylene blue.

Enhanced dielectric and ferroelectric properties near the morphotropic phase boundary in BNBT-BSN ceramics prepared by the solid-state combustion technique

The effect of firing temperatures on the phase structure, microstructure, and electrical properties of 0.99Bi0.47Na0.47Ba0.06TiO3-0.01BaSn0.70Nb0.24O3 (abbreviated as BNBT-BSN) lead-free ceramics fabricated by the solid-state combustion technique, with glycine used as the fuel, were investigated. All BNBT-BSN samples were calcined at temperatures ranging from 750 to 850 °C for 1 to 4 h and sintered at temperatures from 1100 to 1200 °C for 2 h. A pure perovskite structure was obtained after calcination at 800 °C for 2 h. The X-ray diffraction (XRD) patterns showed the coexistence of rhombohedral and tetragonal phases in all ceramics. The average grain size tended to increase with rising sintering temperatures. The optimal condition for fabricating BNBT-BSN ceramics with a morphotropic phase boundary (MPB) was observed at a sintering temperature of 1175 °C for 2 h, where the material exhibited the highest measured density (5.50 g/cm3), maximum dielectric constant at Tm (ɛm = 6513), maximum polarization (Pmax = 42.21 µC/cm2), the largest bulk resistivity (ρ = 1.70 × 104) and the highest activation energy of conduction (Ea = 1.52 eV). These features suggest that this ceramic is a suitable material for applications in actuators, transducers, and high-performance capacitors.