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Search Results (2,415)

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Keywords = enhanced electrochemical performances

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20 pages, 4891 KiB  
Article
Electrochemical Behavior of Thermomechanically Processed UNS S41003 Steel in Acidic Chloride Media: Assessing Martensitic Transformation Effects
by Carlos H. B. Queiroz, Davi A. Marques, Otílio B. F. Diógenes, Daniel de C. Girão, Roberta B. Vasques, Adolfo K. do N. Viana, Gemma Fargas, Mauro A. C. Florez and Walney S. Araújo
Metals 2025, 15(8), 880; https://doi.org/10.3390/met15080880 (registering DOI) - 7 Aug 2025
Abstract
UNS S41003 is a low-cost, low-carbon ferritic stainless steel that exhibits moderate corrosion resistance but limited mechanical performance. This study evaluates the electrochemical behavior of untreated and thermomechanically treated UNS S41003 samples. Corrosion tests were conducted in acidic electrolytes with varying pH to [...] Read more.
UNS S41003 is a low-cost, low-carbon ferritic stainless steel that exhibits moderate corrosion resistance but limited mechanical performance. This study evaluates the electrochemical behavior of untreated and thermomechanically treated UNS S41003 samples. Corrosion tests were conducted in acidic electrolytes with varying pH to simulate aggressive environments relevant to industrial and structural applications where exposure to acidic media and corrosive pollutants occurs. Potentiodynamic polarization curves for all samples displayed passive regions typically associated with protective oxide film formation; however, localized pitting corrosion was detected post-test. Electrochemical impedance spectroscopy indicated a marked decrease in corrosion resistance as pH decreased. The corrosion resistance of the treated alloy remained comparable to that of the untreated condition, indicating that thermomechanical processing did not detrimentally affect passivity or corrosion performance under the tested conditions. The literature suggests that the applied treatment enhances mechanical properties, supporting the potential use of this alloy in structural components subjected to acidic environments requiring a balance of mechanical strength and corrosion resistance. Full article
(This article belongs to the Special Issue Corrosion Behavior of Alloys in Water Environments)
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18 pages, 6311 KiB  
Article
Unraveling the Excellent High-Temperature Oxidation Behavior of FeNiCuAl-Based Alloy
by Guangxin Wu, Gaosheng Li, Lijun Wei, Hao Chen, Yujie Wang, Yunze Qiao, Yu Hua, Chenyang Shi, Yingde Huang and Wenjie Yang
Materials 2025, 18(15), 3679; https://doi.org/10.3390/ma18153679 - 5 Aug 2025
Abstract
This study synthesized FeNiCuAlX high-entropy alloys (HEAs) (where X = Cr, Co, Mn) using arc melting and investigated their high-temperature oxidation behavior in air at 900 °C. The oxidation kinetics of all alloys followed a parabolic rate, with the oxidation rate constants (kp) [...] Read more.
This study synthesized FeNiCuAlX high-entropy alloys (HEAs) (where X = Cr, Co, Mn) using arc melting and investigated their high-temperature oxidation behavior in air at 900 °C. The oxidation kinetics of all alloys followed a parabolic rate, with the oxidation rate constants (kp) of FeNiCuAlCr, FeNiCuAlCo, and FeNiCuAlMn being approximately two to three orders of magnitude lower than that of the FeNiCu alloy. Specifically, FeNiCuAlCr exhibited the lowest kp value of 1.72 × 10−6 mg2·cm4/s, which is significantly lower than those of FeNiCuAlCo (3.29 × 10−6 mg2·cm4/s) and FeNiCuAlMn (1.71 × 10−5 mg2·cm4/s). This suggests that the addition of chromium promotes the formation of a dense Al2O3/Cr2O3 oxide layer, significantly enhancing the oxidation resistance. Furthermore, corrosion resistance was assessed through potentiodynamic polarization and electrochemical impedance spectroscopy in a 3.5% NaCl solution. FeNiCuAlCr demonstrated exceptional resistance to localized corrosion, as indicated by its low corrosion current density (45.7 μA/cm2) and high pitting potential (−0.21 V), highlighting its superior corrosion performance. Full article
(This article belongs to the Special Issue Characterization, Properties, and Applications of New Metallic Alloys)
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19 pages, 2626 KiB  
Article
Process–Structure–Property Correlations in Twin-Screw Extrusion of Graphitic Negative Electrode Pastes for Lithium Ion Batteries Focusing on Kneading Concentrations
by Kristina Borzutzki, Markus Börner, Olga Fromm, Uta Rodehorst and Martin Winter
Batteries 2025, 11(8), 299; https://doi.org/10.3390/batteries11080299 - 5 Aug 2025
Abstract
A continuous mixing process with a twin-screw extruder was investigated for graphite-based negative electrode pastes for high-power applications. In the extrusion-based mixing process, the first kneading concentration is one of the key processing parameters for systematic optimization of relevant electrode paste properties like [...] Read more.
A continuous mixing process with a twin-screw extruder was investigated for graphite-based negative electrode pastes for high-power applications. In the extrusion-based mixing process, the first kneading concentration is one of the key processing parameters for systematic optimization of relevant electrode paste properties like viscosity and particle size distribution. For different active materials at a constant electrode paste composition, a clear correlation of increasing kneading concentration with decreasing viscosity can be observed up to a certain reversal point, initiating a change in the trend and the rheological behavior, thus indicating a process limit. The fundamental effects causing this change and the associated impact on materials and battery performance were evaluated by applying further analytical methods and electrochemical characterization. It is revealed that the change in viscosity is associated with enhanced de-agglomeration of the carbon black additive and with partial particle grinding of the active material and thus a partial change in the interlayer distance of graphene layers and, correspondingly, the electrochemical behavior of the active material. Beyond this, correlations between processing parameters and product properties are presented. Furthermore, indicators are suggested with which monitoring of the machine parameters enables the detection of changes in the electrode paste characteristics. Full article
(This article belongs to the Special Issue Batteries: 10th Anniversary)
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17 pages, 2337 KiB  
Article
Oxygen Reduction by Amide-Ligated Cobalt Complexes: Effect of Hydrogen Bond Acceptor
by Zahra Aghaei, Adedamola A. Opalade, Victor W. Day and Timothy A. Jackson
Molecules 2025, 30(15), 3274; https://doi.org/10.3390/molecules30153274 - 5 Aug 2025
Viewed by 39
Abstract
The ability of earth-abundant metals to serve as catalysts for the oxygen reduction reaction is of increasing importance given the prominence of this reaction in several emerging technologies. It is now recognized that both the primary and secondary coordination environments of these catalysts [...] Read more.
The ability of earth-abundant metals to serve as catalysts for the oxygen reduction reaction is of increasing importance given the prominence of this reaction in several emerging technologies. It is now recognized that both the primary and secondary coordination environments of these catalysts can be modulated to optimize their performance. In this present work, we describe two CoII complexes [CoII(PaPy2Q)](OTf) (1) and [CoII(PaPy2N)](OTf) (2) that catalyze chemical and electrochemical dioxygen reduction. Both 1 and 2 contain CoII centers in a N5 coordination environment, but 2 has a naphthyridine group that places a nitrogen atom in the secondary coordination sphere. Solid-state X-ray crystallography and solution-state spectroscopic measurements reveal that, apart from this second-sphere nitrogen in 2, complexes 1 and 2 have essentially identical properties. Despite these similarities, 2 performs the chemical reduction of dioxygen ~10-fold more rapidly than 1. In addition, 2 has an enhanced performance in the electrochemical reduction of dioxygen compared to 1. Both complexes yield a significant amount of H2O2 in the chemical reduction of dioxygen (>25%). The enhanced catalytic performance of 2 is attributed to the presence of the second-sphere nitrogen atom, which might enable the efficient protonation of cobalt–oxygen intermediates formed during turnover. Full article
(This article belongs to the Special Issue Metal Complexes: Synthesis, Characterization and Applications)
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22 pages, 5322 KiB  
Article
Comparative Modeling of Vanadium Redox Flow Batteries Using Multiple Linear Regression and Random Forest Algorithms
by Ammar Ali, Sohel Anwar and Afshin Izadian
Energy Storage Appl. 2025, 2(3), 11; https://doi.org/10.3390/esa2030011 - 5 Aug 2025
Viewed by 89
Abstract
This paper presents a comparative study of data-driven modeling approaches for vanadium redox flow batteries (VRFBs), utilizing Multiple Linear Regression (MLR) and Random Forest (RF) algorithms. Experimental voltage–capacity datasets from a 1 kW/1 kWh VRFB system were digitized, processed, and used for model [...] Read more.
This paper presents a comparative study of data-driven modeling approaches for vanadium redox flow batteries (VRFBs), utilizing Multiple Linear Regression (MLR) and Random Forest (RF) algorithms. Experimental voltage–capacity datasets from a 1 kW/1 kWh VRFB system were digitized, processed, and used for model training, validation, and testing. The MLR model, built using eight optimized features, achieved a mean error (ME) of 0.0204 V, a residual sum of squares (RSS) of 8.87, and a root mean squared error (RMSE) of 0.1796 V on the test data, demonstrating high predictive performance in stationary operating regions. However, it exhibited limited accuracy during dynamic transitions. Optimized through out-of-bag (OOB) error minimization, the Random Forest model achieved a training RMSE of 0.093 V and a test RMSE of 0.110 V, significantly outperforming MLR in capturing dynamic behavior while maintaining comparable performance in steady-state regions. The accuracy remained high even at lower current densities. Feature importance analysis and partial dependence plots (PDPs) confirmed the dominance of current-related features and SOC dynamics in influencing VRFB terminal voltage. Overall, the Random Forest model offers superior accuracy and robustness, making it highly suitable for real-time VRFB system monitoring, control, and digital twin integration. This study highlights the potential of combining machine learning algorithms with electrochemical domain knowledge to enhance battery system modeling for future energy storage applications. Full article
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21 pages, 2608 KiB  
Review
Recent Progress on the Research of 3D Printing in Aqueous Zinc-Ion Batteries
by Yating Liu, Haokai Ding, Honglin Chen, Haoxuan Gao, Jixin Yu, Funian Mo and Ning Wang
Polymers 2025, 17(15), 2136; https://doi.org/10.3390/polym17152136 - 4 Aug 2025
Viewed by 265
Abstract
The global transition towards a low-carbon energy system urgently demands efficient and safe energy storage solutions. Aqueous zinc-ion batteries (AZIBs) are considered a promising alternative to lithium-ion batteries due to their inherent safety and environmental friendliness. However, conventional manufacturing methods are costly and [...] Read more.
The global transition towards a low-carbon energy system urgently demands efficient and safe energy storage solutions. Aqueous zinc-ion batteries (AZIBs) are considered a promising alternative to lithium-ion batteries due to their inherent safety and environmental friendliness. However, conventional manufacturing methods are costly and labor-intensive, hindering their large-scale production. Recent advances in 3D printing technology offer innovative pathways to address these challenges. By combining design flexibility with material optimization, 3D printing holds the potential to enhance battery performance and enable customized structures. This review systematically examines the application of 3D printing technology in fabricating key AZIB components, including electrodes, electrolytes, and integrated battery designs. We critically compare the advantages and disadvantages of different 3D printing techniques for these components, discuss the potential and mechanisms by which 3D-printed structures enhance ion transport and electrochemical stability, highlight critical existing scientific questions and research gaps, and explore potential strategies for optimizing the manufacturing process. Full article
(This article belongs to the Special Issue Polymeric Materials for Next-Generation Energy Storage)
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13 pages, 4335 KiB  
Article
Mg-Doped O3-Na[Ni0.6Fe0.25Mn0.15]O2 Cathode for Long-Cycle-Life Na-Ion Batteries
by Zebin Song, Hao Zhou, Yin Zhang, Haining Ji, Liping Wang, Xiaobin Niu and Jian Gao
Inorganics 2025, 13(8), 261; https://doi.org/10.3390/inorganics13080261 - 4 Aug 2025
Viewed by 128
Abstract
The O3-type layered oxide materials have the advantage of high specific capacity, which makes them more competitive in the practical application of cathode materials for sodium-ion batteries (SIBs). However, the existing reported O3-type layered oxide materials still have a complex irreversible phase transition [...] Read more.
The O3-type layered oxide materials have the advantage of high specific capacity, which makes them more competitive in the practical application of cathode materials for sodium-ion batteries (SIBs). However, the existing reported O3-type layered oxide materials still have a complex irreversible phase transition phenomenon, and the cycle life of batteries needs, with these materials, to be further improved to meet the requirements. Herein, we performed structural characterization and electrochemical performance tests on O3-NaNi0.6−xFe0.25Mn0.15MgxO2 (x = 0, 0.025, 0.05, and 0.075, denoted as NFM, NFM-2.5Mg, NFM-5.0Mg, and NFM-7.5Mg). The optimized NFM-2.5Mg has the largest sodium layer spacing, which can effectively enhance the transmission rate of sodium ions. Therefore, the reversible specific capacity can reach approximately 148.1 mAh g−1 at 0.2C, and it can even achieve a capacity retention of 85.4% after 100 cycles at 1C, demonstrating excellent cycle stability. Moreover, at a low temperature of 0 °C, it also can keep capacity retention of 86.6% after 150 cycles at 1C. This study provides a view on the cycling performance improvement of sodium-ion layered oxide cathodes with a high theoretical specific capacity. Full article
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19 pages, 2474 KiB  
Article
Unraveling the Role of Aluminum in Boosting Lithium-Ionic Conductivity of LLZO
by Md Mozammal Raju, Yi Ding and Qifeng Zhang
Electrochem 2025, 6(3), 29; https://doi.org/10.3390/electrochem6030029 - 4 Aug 2025
Viewed by 215
Abstract
The development of high-performance solid electrolytes is critical to advancing solid-state lithium-ion batteries (SSBs), with lithium lanthanum zirconium oxide (LLZO) emerging as a leading candidate due to its chemical stability and wide electrochemical window. In this study, we systematically investigated the effects of [...] Read more.
The development of high-performance solid electrolytes is critical to advancing solid-state lithium-ion batteries (SSBs), with lithium lanthanum zirconium oxide (LLZO) emerging as a leading candidate due to its chemical stability and wide electrochemical window. In this study, we systematically investigated the effects of cation dopants, including aluminum (Al3+), tantalum (Ta5+), gallium (Ga3+), and rubidium (Rb+), on the structural, electronic, and ionic transport properties of LLZO using density functional theory (DFT) and ab initio molecular dynamics (AIMD) simulations. It appeared that, among all simulated results, Al-LLZO exhibits the highest ionic conductivity of 1.439 × 10−2 S/cm with reduced activation energy of 0.138 eV, driven by enhanced lithium vacancy concentrations and preserved cubic-phase stability. Ta-LLZO follows, with a conductivity of 7.12 × 10−3 S/cm, while Ga-LLZO and Rb-LLZO provide moderate conductivity of 3.73 × 10−3 S/cm and 3.32 × 10−3 S/cm, respectively. Charge density analysis reveals that Al and Ta dopants facilitate smoother lithium-ion migration by minimizing electrostatic barriers. Furthermore, Al-LLZO demonstrates low electronic conductivity (1.72 × 10−8 S/cm) and favorable binding energy, mitigating dendrite formation risks. Comparative evaluations of radial distribution functions (RDFs) and XRD patterns confirm the structural integrity of doped systems. Overall, Al emerges as the most effective and economically viable dopant, optimizing LLZO for scalable, durable, and high-conductivity solid-state batteries. Full article
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20 pages, 7843 KiB  
Article
Effect of Ageing on a Novel Cobalt-Free Precipitation-Hardenable Martensitic Alloy Produced by SLM: Mechanical, Tribological and Corrosion Behaviour
by Inés Pérez-Gonzalo, Florentino Alvarez-Antolin, Alejandro González-Pociño and Luis Borja Peral-Martinez
J. Manuf. Mater. Process. 2025, 9(8), 261; https://doi.org/10.3390/jmmp9080261 - 4 Aug 2025
Viewed by 220
Abstract
This study investigates the mechanical, tribological, and electrochemical behaviour of a novel precipitation-hardenable martensitic alloy produced by selective laser melting (SLM). The alloy was specifically engineered with an optimised composition, free from cobalt and molybdenum, and featuring reduced nickel content (7 wt.%) and [...] Read more.
This study investigates the mechanical, tribological, and electrochemical behaviour of a novel precipitation-hardenable martensitic alloy produced by selective laser melting (SLM). The alloy was specifically engineered with an optimised composition, free from cobalt and molybdenum, and featuring reduced nickel content (7 wt.%) and 8 wt.% chromium. It has been developed as a cost-effective and sustainable alternative to conventional maraging steels, while maintaining high mechanical strength and a refined microstructure tailored to the steep thermal gradients inherent to the SLM process. Several ageing heat treatments were assessed to evaluate their influence on microstructure, hardness, tensile strength, retained austenite content, dislocation density, as well as wear behaviour (pin-on-disc test) and corrosion resistance (polarisation curves in 3.5%NaCl). The results indicate that ageing at 540 °C for 2 h offers an optimal combination of hardness (550–560 HV), tensile strength (~1700 MPa), microstructural stability, and wear resistance, with a 90% improvement compared to the as-built condition. In contrast, ageing at 600 °C for 1 h enhances ductility and corrosion resistance (Rp = 462.2 kΩ; Ecorr = –111.8 mV), at the expense of a higher fraction of reverted austenite (~34%) and reduced hardness (450 HV). This study demonstrates that the mechanical, surface, and electrochemical performance of this novel SLM-produced alloy can be effectively tailored through controlled thermal treatments, offering promising opportunities for demanding applications requiring a customised balance of strength, durability, and corrosion behaviour. Full article
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11 pages, 929 KiB  
Article
Dye-Sensitized Solar Cells Application of TiO2 Using Spirulina and Chlorella Algae Extract
by Maria Vitória França Corrêa, Gideã Taques Tractz, Guilherme Arielo Rodrigues Maia, Hagata Emmanuely Slusarski Fonseca, Larissa Oliveira Berbel, Lucas José de Almeida and Everson do Prado Banczek
Colorants 2025, 4(3), 25; https://doi.org/10.3390/colorants4030025 - 4 Aug 2025
Viewed by 122
Abstract
The present study investigates dye-sensitized solar cells (DSSCs) incorporating natural extracts from the microalgae Spirulina and Chlorella as photosensitizers. TiO2-based electrodes were prepared and immersed in methanolic algae extracts for 24 and 48 h. UV–Vis spectroscopy revealed absorption peaks near 400 [...] Read more.
The present study investigates dye-sensitized solar cells (DSSCs) incorporating natural extracts from the microalgae Spirulina and Chlorella as photosensitizers. TiO2-based electrodes were prepared and immersed in methanolic algae extracts for 24 and 48 h. UV–Vis spectroscopy revealed absorption peaks near 400 nm and 650 nm, characteristic of chlorophyll. Electrochemical analyses, including photochronoamperometry and open-circuit potential, confirmed the photosensitivity and charge transfer capabilities of all systems. The cell sensitized with Chlorella after 48 h of immersion exhibited the highest energy conversion efficiency (0.0184% ± 0.0015), while Spirulina achieved 0.0105% ± 0.0349 after 24 h. Chlorella’s superior performance is attributed to its higher chlorophyll content and enhanced light absorption, facilitating more efficient electron injection and interaction with the TiO2 surface. Although the efficiency remains lower than that of conventional silicon-based solar cells, the results highlight the potential of natural colorants as sustainable and low-cost alternatives for photovoltaic applications. Nonetheless, further, improvements are required, particularly in dye stability and anchorage, to improve device performance. This research reinforces the viability of natural photosensitizers in DSSC technology and supports continued efforts to optimize their application. Full article
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37 pages, 5131 KiB  
Review
Coating Metal–Organic Frameworks (MOFs) and Associated Composites on Electrodes, Thin Film Polymeric Materials, and Glass Surfaces
by Md Zahidul Hasan, Tyeaba Tasnim Dipti, Liu Liu, Caixia Wan, Li Feng and Zhongyu Yang
Nanomaterials 2025, 15(15), 1187; https://doi.org/10.3390/nano15151187 - 2 Aug 2025
Viewed by 359
Abstract
Metal–Organic Frameworks (MOFs) have emerged as advanced porous crystalline materials due to their highly ordered structures, ultra-high surface areas, fine-tunable pore sizes, and massive chemical diversity. These features, arising from the coordination between an almost unlimited number of metal ions/clusters and organic linkers, [...] Read more.
Metal–Organic Frameworks (MOFs) have emerged as advanced porous crystalline materials due to their highly ordered structures, ultra-high surface areas, fine-tunable pore sizes, and massive chemical diversity. These features, arising from the coordination between an almost unlimited number of metal ions/clusters and organic linkers, have resulted in significant interest in MOFs for applications in gas storage, catalysis, sensing, energy, and biomedicine. Beyond their stand-alone properties and applications, recent research has increasingly explored the integration of MOFs with other substrates, particularly electrodes, polymeric thin films, and glass surfaces, to create synergistic effects that enhance material performance and broaden application potential. Coating MOFs onto these substrates can yield significant benefits, including, but not limited to, improved sensitivity and selectivity in electrochemical sensors, enhanced mechanical and separation properties in membranes, and multifunctional coatings for optical and environmental applications. This review provides a comprehensive and up-to-date summary of recent advances (primarily from the past 3–5 years) in MOF coating techniques, including layer-by-layer assembly, in situ growth, and electrochemical deposition. This is followed by a discussion of the representative applications arising from MOF-substrate coating and an outline of key challenges and future directions in this rapidly evolving field. This article aims to serve as a focused reference point for researchers interested in both fundamental strategies and applied developments in MOF surface coatings. Full article
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26 pages, 5007 KiB  
Article
Copper-Enhanced NiMo/TiO2 Catalysts for Bifunctional Green Hydrogen Production and Pharmaceutical Pollutant Removal
by Nicolás Alejandro Sacco, Fernanda Albana Marchesini, Ilaria Gamba and Gonzalo García
Catalysts 2025, 15(8), 737; https://doi.org/10.3390/catal15080737 - 1 Aug 2025
Viewed by 258
Abstract
This study presents the development of Cu-doped NiMo/TiO2 photoelectrocatalysts for simultaneous green hydrogen production and pharmaceutical pollutant removal under simulated solar irradiation. The catalysts were synthesized via wet impregnation (15 wt.% total metal loading with 0.6 wt.% Cu) and thermally treated at [...] Read more.
This study presents the development of Cu-doped NiMo/TiO2 photoelectrocatalysts for simultaneous green hydrogen production and pharmaceutical pollutant removal under simulated solar irradiation. The catalysts were synthesized via wet impregnation (15 wt.% total metal loading with 0.6 wt.% Cu) and thermally treated at 400 °C and 900 °C to investigate structural transformations and catalytic performance. Comprehensive characterization (XRD, BET, SEM, XPS) revealed phase transitions, enhanced crystallinity, and redistribution of redox states upon Cu incorporation, particularly the formation of NiTiO3 and an increase in oxygen vacancies. Crystallite sizes for anatase, rutile, and brookite ranged from 21 to 47 nm at NiMoCu400, while NiMoCu900 exhibited only the rutile phase with 55 nm crystallites. BET analysis showed a surface area of 44.4 m2·g−1 for NiMoCu400, and electrochemical measurements confirmed its higher electrochemically active surface area (ECSA, 2.4 cm2), indicating enhanced surface accessibility. In contrast, NiMoCu900 exhibited a much lower BET surface area (1.4 m2·g−1) and ECSA (1.4 cm2), consistent with its inferior photoelectrocatalytic performance. Compared to previously reported binary NiMo/TiO2 systems, the ternary NiMoCu/TiO2 catalysts demonstrated significantly improved hydrogen production activity and more efficient photoelectrochemical degradation of paracetamol. Specifically, NiMoCu400 showed an anodic peak current of 0.24 mA·cm−2 for paracetamol oxidation, representing a 60% increase over NiMo400 and a cathodic current of −0.46 mA·cm−2 at −0.1 V vs. RHE under illumination, nearly six times higher than the undoped counterpart (–0.08 mA·cm−2). Mott–Schottky analysis further revealed that NiMoCu400 retained n-type behavior, while NiMoCu900 exhibited an unusual inversion to p-type, likely due to Cu migration and rutile-phase-induced realignment of donor states. Despite its higher photosensitivity, NiMoCu900 showed negligible photocurrent, confirming that structural preservation and surface redox activity are critical for photoelectrochemical performance. This work provides mechanistic insight into Cu-mediated photoelectrocatalysis and identifies NiMoCu/TiO2 as a promising bifunctional platform for integrated solar-driven water treatment and sustainable hydrogen production. Full article
(This article belongs to the Section Electrocatalysis)
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17 pages, 2016 KiB  
Article
DFT-Guided Next-Generation Na-Ion Batteries Powered by Halogen-Tuned C12 Nanorings
by Riaz Muhammad, Anam Gulzar, Naveen Kosar and Tariq Mahmood
Computation 2025, 13(8), 180; https://doi.org/10.3390/computation13080180 - 1 Aug 2025
Viewed by 257
Abstract
Recent research on the design and synthesis of new and upgraded materials for secondary batteries is growing to fulfill future energy demands around the globe. Herein, by using DFT calculations, the thermodynamic and electrochemical properties of Na/Na+@C12 complexes and then [...] Read more.
Recent research on the design and synthesis of new and upgraded materials for secondary batteries is growing to fulfill future energy demands around the globe. Herein, by using DFT calculations, the thermodynamic and electrochemical properties of Na/Na+@C12 complexes and then halogens (X = Br, Cl, and F) as counter anions are studied for the enhancement of Na-ion battery cell voltage and overall performance. Isolated C12 nanorings showed a lower cell voltage (−1.32 V), which was significantly increased after adsorption with halide anions as counter anions. Adsorption of halides increased the Gibbs free energy, which in turn resulted in higher cell voltage. Cell voltage increased with the increasing electronegativity of the halide anion. The Gibbs free energy of Br@C12 was −52.36 kcal·mol1, corresponding to a desirable cell voltage of 2.27 V, making it suitable for use as an anode in sodium-ion batteries. The estimated cell voltage of these considered complexes ensures the effective use of these complexes in sodium-ion secondary batteries. Full article
(This article belongs to the Special Issue Feature Papers in Computational Chemistry)
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15 pages, 1619 KiB  
Article
Reducing Energy Penalty in Wastewater Treatment: Fe-Cu-Modified MWCNT Electrodes for Low-Voltage Electrofiltration of OMC
by Lu Yu, Jun Zeng, Xiu Fan, Fengxiang Li and Tao Hua
Energies 2025, 18(15), 4077; https://doi.org/10.3390/en18154077 - 1 Aug 2025
Viewed by 191
Abstract
Pseudo-persistent organic pollutants, such as pharmaceuticals, personal care products (PPCPs), and organic dyes, are a major issue in current environmental engineering. Considering the limitations of traditional wastewater treatment plant methods and degradation technologies for organic pollutants, the search for new technologies more suitable [...] Read more.
Pseudo-persistent organic pollutants, such as pharmaceuticals, personal care products (PPCPs), and organic dyes, are a major issue in current environmental engineering. Considering the limitations of traditional wastewater treatment plant methods and degradation technologies for organic pollutants, the search for new technologies more suitable for treating these new types of pollutants has become a research hotspot in recent years. Membrane filtration, adsorption, advanced oxidation, and electrochemical advanced oxidation technologies can effectively treat new organic pollutants. The electro-advanced oxidation process based on sulfate radicals is renowned for its non-selectivity, high efficiency, and environmental friendliness, and it can improve the dewatering performance of sludge after wastewater treatment. Therefore, in this study, octyl methoxycinnamate (OMC) was selected as the target pollutant. A new type of electrochemical filtration device based on the advanced oxidation process of sulfate radicals was designed, and a new type of modified carbon nanotube material electrode was synthesized to enhance its degradation effect. In a mixed system of water and acetonitrile, the efficiency of the electrochemical filtration device loaded with the modified electrode for degrading OMC is 1.54 times that at room temperature. The experimental results confirmed the superiority and application prospects of the self-designed treatment scheme for organic pollutants, providing experience and a reference for the future treatment of PPCP pollution. Full article
(This article belongs to the Section D2: Electrochem: Batteries, Fuel Cells, Capacitors)
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37 pages, 7777 KiB  
Review
Cement-Based Electrochemical Systems for Structural Energy Storage: Progress and Prospects
by Haifeng Huang, Shuhao Zhang, Yizhe Wang, Yipu Guo, Chao Zhang and Fulin Qu
Materials 2025, 18(15), 3601; https://doi.org/10.3390/ma18153601 - 31 Jul 2025
Viewed by 311
Abstract
Cement-based batteries (CBBs) are an emerging category of multifunctional materials that combine structural load-bearing capacity with integrated electrochemical energy storage, enabling the development of self-powered infrastructure. Although previous reviews have explored selected aspects of CBB technology, a comprehensive synthesis encompassing system architectures, material [...] Read more.
Cement-based batteries (CBBs) are an emerging category of multifunctional materials that combine structural load-bearing capacity with integrated electrochemical energy storage, enabling the development of self-powered infrastructure. Although previous reviews have explored selected aspects of CBB technology, a comprehensive synthesis encompassing system architectures, material strategies, and performance metrics remains insufficient. In this review, CBB systems are categorized into two representative configurations: probe-type galvanic cells and layered monolithic structures. Their structural characteristics and electrochemical behaviors are critically compared. Strategies to enhance performance include improving ionic conductivity through alkaline pore solutions, facilitating electron transport using carbon-based conductive networks, and incorporating redox-active materials such as zinc–manganese dioxide and nickel–iron couples. Early CBB prototypes demonstrated limited energy densities due to high internal resistance and inefficient utilization of active components. Recent advancements in electrode architecture, including nickel-coated carbon fiber meshes and three-dimensional nickel foam scaffolds, have achieved stable rechargeability across multiple cycles with energy densities surpassing 11 Wh/m2. These findings demonstrate the practical potential of CBBs for both energy storage and additional functionalities, such as strain sensing enabled by conductive cement matrices. This review establishes a critical basis for future development of CBBs as multifunctional structural components in infrastructure applications. Full article
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