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15 pages, 3405 KB  
Review
Beyond Titanium Carbide: The Promise of Vanadium-Based MXenes for Aqueous Supercapacitors
by Jingyi Tan, Yi Tang, Zhao Bi, Guoqiang Dong, Miao Liu and Chenhui Yang
Molecules 2026, 31(7), 1097; https://doi.org/10.3390/molecules31071097 - 26 Mar 2026
Abstract
Aqueous supercapacitors are a class of crucial high-power, long-life, safe and reliable energy storage devices, with their performance fundamentally dependent on electrode materials. Two-dimensional (2D) vanadium-based MXenes, possessing rich multivalent redox activity and tunable layered structures, have emerged as one of highly promising [...] Read more.
Aqueous supercapacitors are a class of crucial high-power, long-life, safe and reliable energy storage devices, with their performance fundamentally dependent on electrode materials. Two-dimensional (2D) vanadium-based MXenes, possessing rich multivalent redox activity and tunable layered structures, have emerged as one of highly promising electrode candidates, exhibiting significantly superior specific capacitance and pseudocapacitive properties compared to conventional Ti3C2Tz. To overcome inherent limitations in conductivity and structural stability, this review summarizes strategies for regulating composition and microstructure through transition metal solid solution and medium-/high-entropy design. These approaches synergistically optimize electron conduction, expand ion migration pathways, and suppress electrode degradation, thereby comprehensively enhancing rate performance, cycle life, and energy density. This review systematically reveals the composition–structure–performance relationships, providing critical design insights and theoretical foundations for developing next-generation high-performance, long-life aqueous MXene-based supercapacitors. Full article
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23 pages, 7891 KB  
Article
Synergistic Enhancement of WO3@Co3O4 Layered Supercapacitors via PAA-Directed Electrodeposition: A Comparative Polymer Strategy with HMTA Surfactant
by Pritam J. Morankar and Chan-Wook Jeon
Micromachines 2026, 17(4), 407; https://doi.org/10.3390/mi17040407 - 26 Mar 2026
Abstract
In this study, a novel layered WO3@Co3O4 composite electrode was synthesized via a controlled electrodeposition method employing different surfactants to finely tune its nanostructure. The incorporation of polyacrylic acid (PAA) surfactant yielded an optimized P-W@Co electrode with a [...] Read more.
In this study, a novel layered WO3@Co3O4 composite electrode was synthesized via a controlled electrodeposition method employing different surfactants to finely tune its nanostructure. The incorporation of polyacrylic acid (PAA) surfactant yielded an optimized P-W@Co electrode with a hierarchical porous morphology and reduced crystallite size, markedly enhancing electroactive site exposure and electron transport. Structural analyses confirmed the amorphous nature of WO3 and crystalline spinel Co3O4 phases forming an integrated composite architecture. Electrochemical characterizations in a three-electrode system revealed that the P-W@Co electrode exhibited superior pseudocapacitive behavior, with an areal capacitance of 11.70 F/cm2 at 20 mA/cm2 and excellent rate capability, retaining 80% capacitance at 40 mA/cm2. Kinetic studies demonstrated enhanced diffusion-controlled charge storage attributed to improved ion accessibility and charge transfer kinetics. To evaluate practical feasibility, asymmetric supercapacitor devices incorporating P-W@Co as the positive electrode coupled with activated carbon as the negative electrode were fabricated. This device showcased a widened operational voltage (1.5 V), outstanding areal capacitance (211 mF/cm2), and energy density (0.066 mWh/cm2). Importantly, the device exhibited exceptional cycling stability, retaining 81.8% capacitance after 7000 cycles. This work signifies a major advancement in surfactant-mediated design of WO3@Co3O4 layered electrodes for scalable, high-performance supercapacitor applications, combining structural stability, enhanced conductivity, and multifaceted charge storage mechanisms. Full article
(This article belongs to the Special Issue Microdevices and Electrode Materials for Electrochemical Applications)
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42 pages, 2250 KB  
Article
Data-Driven Yield Estimation and Maximization Using Bayesian Optimization Under Uncertainty
by Kei Sano, Daiki Kawahito, Yukiya Saito, Hironori Moki and Dragan Djurdjanovic
Appl. Sci. 2026, 16(7), 3213; https://doi.org/10.3390/app16073213 - 26 Mar 2026
Abstract
In this paper, we propose a novel method which utilizes samples of measured product quality characteristics to efficiently estimate the probabilities of those quality characteristics being within the desired specifications and, consequently, the process yield. Specifically, when dealing with 1D Gaussian distributions, we [...] Read more.
In this paper, we propose a novel method which utilizes samples of measured product quality characteristics to efficiently estimate the probabilities of those quality characteristics being within the desired specifications and, consequently, the process yield. Specifically, when dealing with 1D Gaussian distributions, we formally prove that the proposed yield estimator asymptotically gives a lower Mean Squared Error compared to the best unbiased estimator. In order to enable maximization of yield, this novel estimator is incorporated into the framework of Bayesian Optimization which iteratively seeks controllable tool parameters under which the outgoing product yield is maximized. The newly proposed yield maximization method is demonstrated in an application involving high-fidelity simulations of a reactive ion etch chamber, a tool component commonly used in semiconductor manufacturing. The aim of these simulations was to rapidly and reliably determine tool parameters that maximize the probability of delivering desired plasma density characteristics under stochastic variations in chamber conditions. The novel yield estimation and optimization methods show superiority when the number of experimental observations is limited and the distributions of outgoing product characteristics can be approximated well by a Gaussian distribution. Full article
(This article belongs to the Section Computing and Artificial Intelligence)
25 pages, 17827 KB  
Article
Synergistic PCM–Liquid Thermal Management for Large-Format Cylindrical Batteries Under High-Rate Discharge
by Chunyun Shen, Chengxuan Su, Zheming Zhang, Fang Wang, Zekun Wang and Shiming Wang
Appl. Sci. 2026, 16(7), 3200; https://doi.org/10.3390/app16073200 - 26 Mar 2026
Abstract
The push for higher energy density in electric vehicles has resulted in large-sized lithium-ion batteries, but their geometric upscaling exacts a heavy thermal price. Under high-rate discharge, these massive cells become heat traps, risking thermal runaway. To tame this instability, this paper engineered [...] Read more.
The push for higher energy density in electric vehicles has resulted in large-sized lithium-ion batteries, but their geometric upscaling exacts a heavy thermal price. Under high-rate discharge, these massive cells become heat traps, risking thermal runaway. To tame this instability, this paper engineered a hybrid management strategy fusing liquid cooling, Phase Change Materials (PCMs), and flow deflectors. With a primary focus on the structural optimization of the cooling channel, a three-dimensional numerical model, calibrated using experimentally determined thermophysical properties, was developed to overcome the thermal bottlenecks of conventional cooling architectures. Results indicated that the initial channel optimization effectively reduced the maximum temperature to 327.7 K, but it still remained near the safety threshold. Integrating PCM radically altered the thermal landscape, slashing the outlet temperature differential by 41.67% (from 2.76 K to 1.61 K) compared to pure liquid cooling and blunting peak thermal spikes. Furthermore, to overcome laminar stagnation, strategic deflector baffles were introduced to agitate the coolant, enhancing heat dissipation. Specifically, the optimal half-coverage (L = 1/2) baffle configuration successfully lowered the maximum temperature to 322.42 K while substantially reducing the system pressure drop from 948.16 Pa to 627.57 Pa, achieving a 33.33% reduction compared to the full-coverage scheme. Finally, a multi-variable sensitivity analysis confirmed the extraordinary engineering robustness of the optimized configuration, demonstrating a negligible maximum temperature fluctuation of less than 0.5% despite ±10% operational and material uncertainties. This synergistic system actively stabilizes the thermal envelope, offering a robust engineering blueprint for next-generation high-power battery packs. Full article
(This article belongs to the Section Applied Thermal Engineering)
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23 pages, 1384 KB  
Review
Strategies for Photoelectrochemical Splitting of Water
by Brisa Alejandra Ortiz, Martin Trejo-Valdez, Puja Kumari and Carlos Torres-Torres
Int. J. Mol. Sci. 2026, 27(7), 3015; https://doi.org/10.3390/ijms27073015 - 26 Mar 2026
Abstract
The photoelectrochemical splitting (PEC) of water provides a direct route to converting solar energy into storable chemical fuels. When illuminated, a semiconductor photoelectrode can absorb light and generate electron-hole pairs, which participate in interfacial redox reactions at the semiconductor-electrolyte junction. Therefore, to achieve [...] Read more.
The photoelectrochemical splitting (PEC) of water provides a direct route to converting solar energy into storable chemical fuels. When illuminated, a semiconductor photoelectrode can absorb light and generate electron-hole pairs, which participate in interfacial redox reactions at the semiconductor-electrolyte junction. Therefore, to achieve high-performance PEC, photoelectrodes with optimized optical absorption and charge have been explored. This review analyzes recent fabrication strategies used to design photoelectrodes for the PEC dissociation of water. Physical fabrication techniques, including pulsed laser deposition, magnetron sputtering, and physical vapor deposition, allow for precise control of film thickness, crystallinity, and defect density, critical parameters for efficient charge transport. Typically, in physical methods, reported photocurrent densities span from ~10−2 to 101 mAcm−2, depending on the semiconductor material, nanostructure design, and interfacial engineering strategies. Chemical synthesis methods, such as hydrothermal growth, successive ion layer adsorption and reaction, and microemulsion techniques, provide greater compositional flexibility and enable controlled doping, surface functionalization, and the formation of nanostructured morphologies. Finally, hybrid fabrication strategies integrate physical and chemical processes within a single synthesis framework to combine structural precision with compositional tuning capabilities. These approaches enable the development of advanced architecture such as heterojunctions, core–shell nanostructures, and catalyst-modified interfaces, which enhance light absorption and optimize interfacial transfer. Furthermore, theoretical and computational tools are here analyzed as complementary approaches that guide the rational design and optimization of photoelectrochemical materials and devices. Full article
(This article belongs to the Special Issue Recent Advances in Electrochemical-Related Materials)
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8 pages, 1829 KB  
Proceeding Paper
Parameter Extraction and State-of-Charge Estimation of Li-Ion Batteries for BMS Applications
by Badis Lekouaghet, Hani Terfa and Mohammed Haddad
Eng. Proc. 2026, 124(1), 92; https://doi.org/10.3390/engproc2026124092 - 26 Mar 2026
Abstract
Lithium-ion batteries (LiBs) are fundamental to modern energy systems, particularly in electric vehicle (EV) applications, due to their high energy density, long cycle life, and low self-discharge characteristics. Accurate State-of-Charge (SoC) estimation is essential for ensuring reliable performance, efficient energy usage, and the [...] Read more.
Lithium-ion batteries (LiBs) are fundamental to modern energy systems, particularly in electric vehicle (EV) applications, due to their high energy density, long cycle life, and low self-discharge characteristics. Accurate State-of-Charge (SoC) estimation is essential for ensuring reliable performance, efficient energy usage, and the safety of Battery Management Systems (BMSs). However, the nonlinear and time-varying characteristics of LiBs, along with the difficulty in directly measuring internal states, pose significant challenges for parameter identification and SoC estimation. This study presents an advanced approach based on the Weighted Mean of Vectors optimization algorithm to simultaneously identify the unknown parameters of an extended Thevenin Equivalent Circuit Model (ECM) and estimate the SoC. Unlike previous methods that use static parameters for specific battery modes, the proposed technique accounts for dynamic changes during both charging and discharging operations. The algorithm demonstrates superior adaptability by continuously adjusting model parameters to reflect real-time battery behavior under varying operational conditions. The algorithm also models the relationship between SoC and open-circuit voltage (Voc) using data collected from real lithium-ion cells tested under a controlled load profile in the laboratory. This experimental validation ensures the practical applicability and robustness of the proposed methodology. The simulation results confirm the effectiveness and precision of the proposed approach, showing excellent agreement between measured and estimated values, with minimal errors in both voltage and SoC prediction. The enhanced accuracy achieved through this dynamic parameter identification framework represents a significant advancement in battery state estimation technology. Full article
(This article belongs to the Proceedings of The 6th International Electronic Conference on Applied Sciences)
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13 pages, 3674 KB  
Article
A Study on the Impact of Ice-Covered Pantograph–Catenary Arc Characteristics and Ablation Mechanisms
by Zhiliang Wang, Zhuo Li, Keqiao Zeng, Wenfu Wei, Zefeng Yang and Huan Zhang
Inventions 2026, 11(2), 32; https://doi.org/10.3390/inventions11020032 - 25 Mar 2026
Abstract
Under severe ice and snow weather, ice-covered pantograph–catenary arcs affect the safe operation of high-speed trains. This study investigates the impact of ice-covered arc electrical characteristics, plasma parameters, and material ablation mechanisms. By constructing a comprehensive pantograph–catenary icing experimental platform, arc voltage, current [...] Read more.
Under severe ice and snow weather, ice-covered pantograph–catenary arcs affect the safe operation of high-speed trains. This study investigates the impact of ice-covered arc electrical characteristics, plasma parameters, and material ablation mechanisms. By constructing a comprehensive pantograph–catenary icing experimental platform, arc voltage, current signals, high-speed dynamic images, and emission spectra were synchronously collected under different icing thicknesses ranging from 0 to 15 mm. Research indicates that ice coverture causes frequent “extinction–reignition” phenomena during the arc initiation stage due to the latent heat absorbed by melting ice, significantly reducing the initial stability of arc combustion. Spectral analysis confirms that the arc excitation temperature and energy density are positively correlated with the concentration of hydrogen ions produced by water vapor ionization, reaching a peak under the 5 mm icing condition. Experimental results show that the average energy density of ice-covered arcs is approximately double that of the non-iced condition, causing the ablation pits on the carbon strip to exhibit characteristics of greater depth and wider copper deposition zones. This study reveals the unique mechanisms and damage characteristics of icing pantograph–catenary arcs, providing an important basis for the safe design and maintenance of pantograph–catenary systems in high-cold railway environments. Full article
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19 pages, 7252 KB  
Article
Core–Shell Polyaniline–Carbon Nanotube Electrodes with Engineered Interfaces for High-Performance Ionic Polymer–Gel Composite Actuators
by Jintao Zhao, Yang Cao, Zhenjie Zhang, Dongyu Yang and Mingchuan Jia
Gels 2026, 12(4), 270; https://doi.org/10.3390/gels12040270 - 25 Mar 2026
Viewed by 130
Abstract
Ionic polymer–metal composites consist of an ion-conducting polymer–gel membrane sandwiched between two flexible electrodes, representing a class of soft electroactive materials capable of large deformation under low voltage. The gel membrane, swollen with solvent, facilitates ion migration under an electric field, enabling actuation. [...] Read more.
Ionic polymer–metal composites consist of an ion-conducting polymer–gel membrane sandwiched between two flexible electrodes, representing a class of soft electroactive materials capable of large deformation under low voltage. The gel membrane, swollen with solvent, facilitates ion migration under an electric field, enabling actuation. Tailoring the interfacial architecture between the electrode and the polymer–gel membrane is pivotal for advancing high-performance IPMC actuators. This study presents a comparative investigation of three core–shell nanocomposite electrodes, fabricated via in situ polymerization, for IPMC applications. Among these, the polyaniline-coated multi-walled carbon nanotube composite exhibits a deliberately designed hierarchical structure, with a specific surface area of 32.345 m2·g−1 and a conductive doped polyaniline shell, as confirmed through XPS analysis. This optimized interface enables superior charge storage and transport, endowing the corresponding electrode with a specific capacitance of 40.28 mF·cm−2 at 100 mV·s−1—3.2 times greater than that of conventional silver-based electrodes—along with a reduced sheet resistance. When integrated with a Nafion ion–gel membrane, the PANI@MWCNT electrode achieves a 67% increase in force density and a larger displacement output compared to standard devices, directly correlated with its enhanced electrical and electrochemical properties. This work highlights the critical role of core–shell interfacial engineering in governing electromechanical performance at the electrode–gel interface and offers a practical design strategy for developing high-performance, cost-effective IPMC actuators for soft robotics, flexible electronics, and related applications. Full article
(This article belongs to the Section Gel Chemistry and Physics)
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16 pages, 2575 KB  
Article
Effect of Doping Inorganic Acid Radical Ions on Electrochemical Properties of Polyaniline/Graphite Carbon Paper Electrodes
by Chong Ma, Chen Yao, Jing Xu and Yibing Xie
Inorganics 2026, 14(4), 90; https://doi.org/10.3390/inorganics14040090 - 24 Mar 2026
Viewed by 69
Abstract
The inorganic proton acid-doped polyaniline (H-PANI-X) is synthesized directly on a graphite carbon paper electrode. The polyaniline doped with hydrochloric acid (yielding H-PANI-Cl), sulfuric acid (yielding H-PANI-HSO4), and nitric acid (yielding H-PANI-NO3) is employed to construct both finite molecule [...] Read more.
The inorganic proton acid-doped polyaniline (H-PANI-X) is synthesized directly on a graphite carbon paper electrode. The polyaniline doped with hydrochloric acid (yielding H-PANI-Cl), sulfuric acid (yielding H-PANI-HSO4), and nitric acid (yielding H-PANI-NO3) is employed to construct both finite molecule and periodic molecule computational models. Theoretical calculation and experimental measurement of a polyaniline/graphite carbon paper electrode are adopted to reveal the doping effect of inorganic acid radical ions (Cl, HSO4, NO3) on electrical and electrochemical properties of H-PANI-X. H-PANI-X shows a lower electronic band gap structure, indicating more feasible electron transfer than PANI. H-PANI-X shows a lower HOMO-LUMO orbital energy gap, indicating lower excitation energy than PANI. H-PANI-X also shows a higher electronic density of states level, indicating higher electrical conductivity than PANI. The charge density difference of H-PANI-X reveals a more delocalized electrostatic potential distribution, indicating an enhanced electrostatic interaction between protonated PANI and charge-balancing anions. Furthermore, H-PANI-HSO4 and H-PANI-NO3 exhibit hydrogen bonding between the protonated PANI and charge-balancing anions, resulting in reduced electronic band gaps and enhanced electronic density of states compared with H-PANI-Cl. H-PANI-NO3 with higher electronic states at the Fermi level and higher anionic electronegativity exhibits higher electrical conductivity than H-PANI-Cl and H-PANI-HSO4. The experimental measurement is conducted to investigate the electrochemical properties of H-PANI-X. The electrochemical impedance spectroscopy measurement indicates H-PANI-NO3 maintains lower charge transfer resistance (0.357 Ω) than H-PANI-HSO4 (3.003 Ω) and H-PANI-Cl (10.571 Ω). The cyclic voltammetry measurement indicates that H-PANI-NO3 has much higher redox current and mean current density responses, accordingly exhibiting superior capacitance (208.0 mF cm−2) performance in comparison with H-PANI-Cl (129.5 mF cm−2) and H-PANI-HSO4 (157.9 mF cm−2). Theoretical calculation and experimental investigation confirm H-PANI-NO3 presents superior electroactivity to H-PANI-Cl and H-PANI-HSO4 for promoting its electrochemical capacitance performance. Full article
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32 pages, 2523 KB  
Review
Research Progress on Challenges and Modification Strategies for Lithium-Ion Battery Layered Oxide Cathode Materials
by Yutong Lin, Huilin Lan, Qinghe Zhao, Luyi Yang, Zheyuan Liu and Chengkai Yang
Nanoenergy Adv. 2026, 6(1), 12; https://doi.org/10.3390/nanoenergyadv6010012 - 23 Mar 2026
Viewed by 170
Abstract
The increasing demand for higher energy density in lithium-ion batteries has driven significant interest in layered oxide cathode materials. However, their development is hindered by an inherent trade-off between structural stability and ion transport kinetics. This compromise often manifests as a conflict between [...] Read more.
The increasing demand for higher energy density in lithium-ion batteries has driven significant interest in layered oxide cathode materials. However, their development is hindered by an inherent trade-off between structural stability and ion transport kinetics. This compromise often manifests as a conflict between achieving high capacity, long cycle life, and excellent rate performance. Consequently, mitigating structural degradation and minimizing interfacial side reactions have emerged as core research priorities. Based on this, this review summarizes the crystal chemistry and key challenges of three main types of layered oxide cathode materials, and critically evaluates two main modification strategies: bulk doping, which enhances performance by regulating the electronic structure and suppressing phase transitions; and surface coating, which builds a protective layer at the particle–electrolyte interface to suppress side reactions and metal dissolution. Looking ahead, in terms of modification, the focus should be on multi-scale co-doping to construct a stable bulk phase structure and multi-functional coating to optimize the interface. Integrating artificial intelligence with high-throughput computation will powerfully enable the pursuit of these advanced modification strategies. This integrated approach may resolve the fundamental contradiction between energy density and stability, thereby paving a new pathway for next-generation lithium-ion batteries. Full article
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20 pages, 5112 KB  
Review
Recent Advances in Aqueous Zinc Ion Batteries: Energy Storage Mechanisms, Challenges, and Optimization Strategies
by Dong Zhao, Changwei Liu, Tao Chen and Man Li
Batteries 2026, 12(3), 109; https://doi.org/10.3390/batteries12030109 - 23 Mar 2026
Viewed by 191
Abstract
Aqueous zinc-ion batteries (AZIBs) are promising for large-scale grid storage due to inherent safety, low cost, environmental compatibility, high theoretical capacity (820 mAhg−1), and suitable redox potential (−0.763 V vs. SHE). However, practical deployment is hindered by coupled challenges at the [...] Read more.
Aqueous zinc-ion batteries (AZIBs) are promising for large-scale grid storage due to inherent safety, low cost, environmental compatibility, high theoretical capacity (820 mAhg−1), and suitable redox potential (−0.763 V vs. SHE). However, practical deployment is hindered by coupled challenges at the zinc anode–hydrogen evolution, dendrite growth, and corrosion/passivation, which severely limit cycle life and coulombic efficiency. This review systematically summarizes key advances in AZIB research. It first elucidates working principles and four cathode energy storage mechanisms: Zn2+ insertion/extraction, H+/Zn2+ co-insertion, chemical conversion, and dissolution/deposition. Second, it examines four mainstream cathodes (manganese-based, vanadium-based, Prussian blue analogs, and organic compounds), analyzing performance bottlenecks and corresponding optimization via structural modification. Third, it explores functional mechanisms of advanced separators (polymer, inorganic/ceramic composite, MOF-based, and cellulose-based) in regulating uniform Zn2+ deposition and suppressing dendrites. Fourth, it summarizes anode optimization strategies: artificial protective layers for interface stabilization, electrolyte additives to modulate Zn2+ solvation/deposition, and 3D porous structures to reduce local current density and provide nucleation sites. Finally, key scientific challenges and future directions are discussed—multi-strategy synergy, in situ characterization, practical battery construction, and sustainable technological development, offering theoretical guidance for advancing AZIBs toward large-scale applications. This review aims to provide a comprehensive perspective spanning from materials to systems, and from mechanisms to applications. Its core objective is not merely to list the types of cathode materials, but to establish a logical bridge directly connecting “key challenges” to “optimization strategies,” with a particular emphasis on the issues and solutions related to the cathode side. Full article
(This article belongs to the Special Issue Zinc-Ion Batteries: Recent Progress and Prospects)
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27 pages, 5183 KB  
Article
Comparative Analysis and PSO-Based Optimization of Battery Technologies for Autonomous Mobile Robots
by Masood Shahbazi, Ebrahim Seidi and Artur Ferreira
Batteries 2026, 12(3), 108; https://doi.org/10.3390/batteries12030108 - 22 Mar 2026
Viewed by 155
Abstract
Autonomous mobile robots are transforming industries from e-commerce logistics to field exploration, but their effectiveness depends on onboard energy storage. This study addresses the challenge of selecting optimal battery technologies for autonomous mobile robots, balancing performance, energy efficiency, thermal stability, and cost across [...] Read more.
Autonomous mobile robots are transforming industries from e-commerce logistics to field exploration, but their effectiveness depends on onboard energy storage. This study addresses the challenge of selecting optimal battery technologies for autonomous mobile robots, balancing performance, energy efficiency, thermal stability, and cost across diverse applications. We focus on lithium-ion, lithium-polymer, and nickel-metal hydride batteries, the most common power solutions, each with distinct advantages and disadvantages in energy density, form factor, thermal stability, and cost. A dynamic modeling and simulation framework in MapleSim evaluated these chemistries under defined and representative operating conditions, tracking state of charge and temperature during charging and discharging. A Particle Swarm Optimization algorithm evaluated 37 battery configurations by thermal stability, energy efficiency, and cost across five use cases. Key results indicate that for logistics and warehousing, lithium nickel manganese cobalt oxide with graphite is optimal; for healthcare, lithium nickel manganese cobalt oxide with lithium titanate oxide excels; for manufacturing, lithium nickel cobalt aluminum oxide with graphite leads; for agricultural robots, lithium manganese oxide with graphite is best; and for exploration and mining, lithium iron phosphate with graphite is most reliable. These results provide a structured basis for battery selection, showing how simulation-driven, multi-criteria decision-making enhances energy management and operational reliability. Full article
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22 pages, 1738 KB  
Review
Bridging Quantum Capacitance and Experimental Electrochemical Performance in 2D Materials for Supercapacitors: From Density of States to Device-Level Interpretation
by Maria C. Barrero-Moreno, Abraham Méndez-Reséndiz, Juan C. Carrillo-Rodriguez and Andrés M. Garay-Tapia
Condens. Matter 2026, 11(1), 10; https://doi.org/10.3390/condmat11010010 - 21 Mar 2026
Viewed by 147
Abstract
Two-dimensional (2D) materials, particularly MXenes and transition metal dichalcogenides (TMDs), have attracted intense interest as supercapacitor electrodes due to their high surface area and tunable electronic structure. However, large discrepancies persist between the quantum capacitance values predicted by density functional theory (DFT) calculations [...] Read more.
Two-dimensional (2D) materials, particularly MXenes and transition metal dichalcogenides (TMDs), have attracted intense interest as supercapacitor electrodes due to their high surface area and tunable electronic structure. However, large discrepancies persist between the quantum capacitance values predicted by density functional theory (DFT) calculations and experimentally measured gravimetric capacitances. In this review, we critically analyze DFT methodologies, surface models, normalization strategies, and electrochemical characterization protocols, and compile an extensive dataset of reported MXene and TMD systems to quantify the degree of experimental–theoretical agreement. We show that MXenes typically achieve less than 20% of their predicted capacitance because of restacking, surface terminations, and limited ion accessibility, whereas TMDs exhibit substantially better correspondence, often approaching or exceeding 70% of theoretical values. These results indicate that the theoretical capacitance predicted by DFT is primarily determined by the electronic structure of the material, which defines the upper limit of charge storage, whereas the experimentally achieved capacitance is largely controlled by morphological factors, surface chemistry, and electrode architecture that limit ion accessibility. Full article
(This article belongs to the Special Issue Flexible Matter for Electronics, Photonics, and Energy Conversion)
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24 pages, 4666 KB  
Article
Numerical Study on Heat Transfer Characteristics of Microchannel with Ferrofluid Under Influence of Magnetic Intensity
by Seong-Guk Hwang, Tai Duc Le and Moo-Yeon Lee
Micromachines 2026, 17(3), 383; https://doi.org/10.3390/mi17030383 - 21 Mar 2026
Viewed by 174
Abstract
Effective thermal management is critical for high-power lithium-ion batteries to mitigate excessive heat generation and ensure operational reliability. Failure to maintain a uniform temperature distribution can lead to accelerated capacity fading and severe safety risks, such as thermal runaway. In this study, a [...] Read more.
Effective thermal management is critical for high-power lithium-ion batteries to mitigate excessive heat generation and ensure operational reliability. Failure to maintain a uniform temperature distribution can lead to accelerated capacity fading and severe safety risks, such as thermal runaway. In this study, a ferrofluid-based magnetohydrodynamic (MHD) microchannel cooling system was numerically investigated to elucidate the influence of magnetic intensity, magnet geometry, and electrical boundary conditions on flow behavior and heat transfer performance for battery cooling applications. A fully coupled multiphysics model incorporating electromagnetic, fluid flow, and heat transfer phenomena was developed and validated against experimental and numerical data from the literature. The results show that increasing the applied voltage enhances current density and Lorentz force almost linearly, leading to significant flow acceleration and improved convective heat transfer. Electrical insulation effectively suppresses current leakage into the channel walls, increasing the average current density by up to 222% and the Lorentz force by more than 300%. Compared with a cylindrical magnet, a rectangular magnet provides a more uniform magnetic field distribution and stronger near-wall Lorentz forcing, resulting in superior cooling performance. Under a 4C discharge condition, the insulated rectangular magnet reduces the maximum battery temperature by approximately 30% and increases the average Nusselt number by up to 103% relative to the non-insulated case. The findings reveal the critical roles of magnetic-field-controlled flow symmetry and near-wall forcing in MHD-driven microchannels, and provide practical design guidelines for battery cooling systems with no moving mechanical parts and active electromagnetic flow control. Full article
(This article belongs to the Special Issue Complex Fluid Flows in Microfluidics)
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15 pages, 3713 KB  
Article
Constructing Li-O-Vacancy Configuration Coupling with a Layered/Spinel Mixed Structure in Li-Deficient Li-Rich Layered Oxides to Realize Stable Oxygen Redox
by Yibin Zhang, Meng Wang, Bao Qiu and Zhaoping Liu
Materials 2026, 19(6), 1240; https://doi.org/10.3390/ma19061240 - 21 Mar 2026
Viewed by 220
Abstract
Owing to the synergistic effect of cationic and anionic charge compensation, Li-rich layered oxide cathodes stand as the most promising candidates for next-generation high-energy-density Li-ion batteries. However, the unstable oxygen redox process triggers irreversible oxygen release and structural degradation of the layered framework, [...] Read more.
Owing to the synergistic effect of cationic and anionic charge compensation, Li-rich layered oxide cathodes stand as the most promising candidates for next-generation high-energy-density Li-ion batteries. However, the unstable oxygen redox process triggers irreversible oxygen release and structural degradation of the layered framework, which further destabilizes the Li-O-Li configuration and leads to severe performance decay. In this work, a layered/spinel heterostructure coupled with a stabilized Li-O-vacancy configuration is successfully constructed in a Li-rich layered oxide cathode. This design enables outstanding structural and electrochemical stability, delivering an initial discharge capacity of 232 mAh g−1 with a Coulombic efficiency of 90.5%. Moreover, the cathode retains 86.5% of its capacity after 100 cycles. The proposed structural design strategy offers a new pathway toward high-performance Li-rich layered oxide cathodes. Full article
(This article belongs to the Section Energy Materials)
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