Journal of Physics and Chemistry of Solids最新文献

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A novel chitosan Schiff base derivatives as eco-friendly corrosion inhibitors for Q235 carbon Steel: A combined experimental and theoretical study 壳聚糖希夫碱衍生物作为Q235碳钢的环保型缓蚀剂的实验与理论结合研究
IF 4.9 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-09-14 DOI: 10.1016/j.jpcs.2025.113205
Mohammed Mustafa Yousif Modwi, Huixia Feng, Yafei Liu, Zhao juanjuan
{"title":"A novel chitosan Schiff base derivatives as eco-friendly corrosion inhibitors for Q235 carbon Steel: A combined experimental and theoretical study","authors":"Mohammed Mustafa Yousif Modwi,&nbsp;Huixia Feng,&nbsp;Yafei Liu,&nbsp;Zhao juanjuan","doi":"10.1016/j.jpcs.2025.113205","DOIUrl":"10.1016/j.jpcs.2025.113205","url":null,"abstract":"<div><div>In this study, two novel chitosan-based Schiff bases, SCBS-I and SCBS-II, were synthesized by condensation reactions between chitosan and isatin or menthone, respectively. The prepared Schiff bases were further quaternized via 2,3-epoxypropyltrimethylammonium chloride (EPTAC) to augment inhibitor solubility and inhibition efficiency. Developed as a green and eco-friendly corrosion inhibitor for Q235 carbon steel in hydrochloric solution. The successful synthesis of two chitosan derivatives was characterized via <sup>1</sup>H NMR and FTIR studies. The inhibitors efficiency was evaluated through weight loss, with a greater inhibition efficiency of 94.8 % achieved at 250 mg. L<sup>−1</sup>. Electrochemical studies including EIS and PDP measurements suggest the inhibitors act as mixed types, while aligning with the Langmuir adsorption isotherms model. Gibbs free energies (ΔG) indicate that the inhibitors adsorb onto the carbon steel surface via physical and chemical adsorptions. The surface morphology was investigated using SEM, and XPS confirmed the formation of an adsorbed protective film on the metal surface. Molecular dynamics simulations were applied to investigate the corrosion inhibition mechanism. These findings provide new insights into the design of eco-friendly Schiff base–chitosan derivatives, and future work will focus on optimizing molecular structures and evaluating their performance in more complex corrosive environments.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113205"},"PeriodicalIF":4.9,"publicationDate":"2025-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145104212","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Tuning the structural and electrochemical performance of LiZnVO4 anode via alkaline earth doping for efficient and reversible energy storage behavior in Li-ions batteries 通过碱土掺杂调整LiZnVO4阳极的结构和电化学性能,使其在锂离子电池中具有高效可逆的储能行为
IF 4.9 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-09-13 DOI: 10.1016/j.jpcs.2025.113204
Eman F. El-Khiat , Moustafa M.S. Sanad , Atef Y. Shenouda , El-Sayed El-Shereafy
{"title":"Tuning the structural and electrochemical performance of LiZnVO4 anode via alkaline earth doping for efficient and reversible energy storage behavior in Li-ions batteries","authors":"Eman F. El-Khiat ,&nbsp;Moustafa M.S. Sanad ,&nbsp;Atef Y. Shenouda ,&nbsp;El-Sayed El-Shereafy","doi":"10.1016/j.jpcs.2025.113204","DOIUrl":"10.1016/j.jpcs.2025.113204","url":null,"abstract":"<div><div>Anode materials of LiZn<sub>1-x</sub>Sr<sub>x</sub>VO<sub>4</sub> (x = 0, 0.0025, 0.005, 0.0075, 0.01) samples were directly synthesized by sol-gel technique. Rietveld refinement of the XRD data confirmed the induced lattice stain and expanded cell volume in the rhombohedral structure of Sr-doped LiZnVO<sub>4</sub>. The surface topography and morphology of the as-prepared materials was envisaged by FESEM and HRTEM inspections. The pure LZVO consists of tiny granular particles (100–200 nm) decorating larger grains (1–3 μm). Oppositely, the particles of 1 % Sr-doped LZVO have more ordered shape, higher porosity and less agglomeration, resulting smaller particle size. TEM micrographs for pure LZVO show irregular cubic crystals with nanometric particle size, ranging between 20 and 50 nm. While, 1 %Sr-doped LZVO nanoparticles appear as quasi-circular like shape with narrower particle size range from 10 to 20 nm. The O–V–O vibrational modes of VO<sub>4</sub> group and stretching vibration of Zn–O bond of the samples were interpreted by FTIR. The chemical composition and valences of the samples were determined by XPS. The optimized cell of 1 % Sr-doped LZVO anode showed initial specific discharge capacity 864 vs. 671.2 mAhg<sup>−1</sup> for LiZnVO<sub>4</sub>. The battery of LiZn<sub>0.99</sub>Sr<sub>0.01</sub>VO<sub>4</sub> revealed optimum EIS parameters with the lowest charge transfer resistance, R<sub>ct</sub> value (34.13Ω). Moreover, this battery demonstrated the best cycling performance, maintaining a significant discharge capacity of approximately 145 mAhg<sup>−1</sup> even after 100 cycles.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113204"},"PeriodicalIF":4.9,"publicationDate":"2025-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145104213","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Design of conductive polymer-integrated ReSe2 hybrids (PEDOT:PSS/ReSe2@PPy) for advanced electrochemical energy storage systems 用于先进电化学储能系统的导电聚合物集成ReSe2杂化材料的设计(PEDOT:PSS/ReSe2@PPy)
IF 4.9 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-09-13 DOI: 10.1016/j.jpcs.2025.113198
Hasan B. Albargi , Laraib Ahmed , Mohammed E. Abaker , M.W. Iqbal , Rubab Fatima , Ali Hamza , Muhammad Arslan , Abhinav Kumar , A. Nermin
{"title":"Design of conductive polymer-integrated ReSe2 hybrids (PEDOT:PSS/ReSe2@PPy) for advanced electrochemical energy storage systems","authors":"Hasan B. Albargi ,&nbsp;Laraib Ahmed ,&nbsp;Mohammed E. Abaker ,&nbsp;M.W. Iqbal ,&nbsp;Rubab Fatima ,&nbsp;Ali Hamza ,&nbsp;Muhammad Arslan ,&nbsp;Abhinav Kumar ,&nbsp;A. Nermin","doi":"10.1016/j.jpcs.2025.113198","DOIUrl":"10.1016/j.jpcs.2025.113198","url":null,"abstract":"<div><div>We seek quick and effective storage solutions as energy demands rise. Super-capacitors are becoming a popular choice due to their long lifespan, instant charging, and consistent performance in hostile settings. Combining the advantages of batteries and capacitors is critical for charging electric vehicles and wearable gadgets. In this work, we explore a new hybrid material made from PEDOT: PSS, rhenium diselenide (ReSe<sub>2</sub>), and polypyrrole (PPy), a combination that brings together the strengths of each component to create something greater than the sum of its parts. PEDOT: PSS offers flexibility and strong conductivity, ReSe<sub>2</sub> adds a unique layered structure with useful semiconducting properties, and PPy brings high charge storage capabilities thanks to its pseudo-capacitive nature. By blending these materials through a straightforward solution-based process and in situ polymerization, we developed a flexible, stable, and highly conductive film. In the electrode setup, the composite material demonstrated impressive charge storage abilities. The composite delivered 1085 C/g at 10 mV/s and maintained a high 1400 C/g at 2 A/g, showing excellent performance and stability. The resulting super-capacitive device exhibited <strong>balanced cycling stability, retaining 85.83 % of its initial capacitance after 1000 continuous charge–discharge cycles.</strong> In addition to its capacitance, the composite achieved an <strong>energy density of 77.12 Wh/kg</strong> and a <strong>power loading of 1800 W/kg,</strong> highlighting strong potential for exceptional energy storage applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113198"},"PeriodicalIF":4.9,"publicationDate":"2025-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145104293","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Optical properties of an exciton in core/shell/shell spherical quantum dot under an electric field 电场作用下核/壳/壳球形量子点中激子的光学性质
IF 4.9 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-09-12 DOI: 10.1016/j.jpcs.2025.113169
M. Jaouane , A. Ed-Dahmouny , N.S. Al-Shameri , R. Arraoui , A. Fakkahi , H. Azmi , H.M. Althib , H. El-ghazi , A. Sali , C.A. Duque
{"title":"Optical properties of an exciton in core/shell/shell spherical quantum dot under an electric field","authors":"M. Jaouane ,&nbsp;A. Ed-Dahmouny ,&nbsp;N.S. Al-Shameri ,&nbsp;R. Arraoui ,&nbsp;A. Fakkahi ,&nbsp;H. Azmi ,&nbsp;H.M. Althib ,&nbsp;H. El-ghazi ,&nbsp;A. Sali ,&nbsp;C.A. Duque","doi":"10.1016/j.jpcs.2025.113169","DOIUrl":"10.1016/j.jpcs.2025.113169","url":null,"abstract":"<div><div>We investigate the excitonic properties of spherical ZnS/CdS/ZnS core/shell/shell quantum dots under the influence of an external electric field. The system is modelled by solving the Schrödinger equation within the effective mass approximation using the finite element method. Exciton binding energies are computed via first-order perturbation theory. Using experimentally informed material parameters, we examine how exciton energy levels, oscillator strength, and exciton radiative lifetimes of the first three excited states (<span><math><mrow><mn>1</mn><mi>S</mi></mrow></math></span>, <span><math><mrow><mn>2</mn><mi>S</mi></mrow></math></span>, and <span><math><mrow><mn>3</mn><mi>S</mi></mrow></math></span>) vary with changes in the inner and intermediate shell radii and applied electric field strength. The results highlight distinct features of the quantum-confined Stark effect, including electric-field-induced redshifts, degeneracies in exciton energy levels, and modifications in optical transitions. Notably, the intermediate shell radius has a more pronounced impact on excitonic behaviour than the inner radius. Increasing shell radii reduce quantum confinement, enhancing the influence of the electric field. The oscillator strength generally decreases with field strength, except for the <span><math><mrow><mn>3</mn><mi>S</mi></mrow></math></span> state, which exhibits non-monotonic behaviour due to carrier instability. Exciton radiative lifetime is strongly affected by the spatial redistribution of carriers under the electric field, showing monotonic trends for the ground state and non-monotonic variations for excited states. These findings offer insights into tailoring excitonic responses in semiconductor quantum dots through geometric and external-field control, with potential applications in optoelectronic and quantum devices.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113169"},"PeriodicalIF":4.9,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145104291","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Fast and facile controlled synthesis of silver nanocubes using the solvothermal process to create SERS substrates for detecting polystyrene microplastics 使用溶剂热法快速简便地控制合成银纳米立方体,以创建用于检测聚苯乙烯微塑料的SERS衬底
IF 4.9 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-09-12 DOI: 10.1016/j.jpcs.2025.113196
Tuan-Vu Pham , Trong Duc Doan , Sy Van Vu , Quang Duy Nguyen , Tien Nu Hoang Lo , In Park , Van-Nam Dao , Van-Dung Le , Khuong Quoc Vo
{"title":"Fast and facile controlled synthesis of silver nanocubes using the solvothermal process to create SERS substrates for detecting polystyrene microplastics","authors":"Tuan-Vu Pham ,&nbsp;Trong Duc Doan ,&nbsp;Sy Van Vu ,&nbsp;Quang Duy Nguyen ,&nbsp;Tien Nu Hoang Lo ,&nbsp;In Park ,&nbsp;Van-Nam Dao ,&nbsp;Van-Dung Le ,&nbsp;Khuong Quoc Vo","doi":"10.1016/j.jpcs.2025.113196","DOIUrl":"10.1016/j.jpcs.2025.113196","url":null,"abstract":"<div><div>The approach for detecting trace amounts of microplastics using surface-enhanced Raman spectroscopy (SERS) faces a significant challenge because the size of individual nanoparticles is considerably smaller than that of microplastics. Therefore, it is imperative to develop a type of nanoparticle that can form a larger surface area while still preserving excellent surface plasmon properties to enhance SERS analysis. Silver nanocubes (AgNCs) are an ideal candidate for meeting these specific requirements. Although prior studies have successfully investigated the impact of chemical parameters, it remains a challenge to synthesize AgNCs homogeneously. The current research underscores other experimental refinements that have been minimally addressed in the existing literature. Choosing suitable conditions enabled the formation of AgNCs with distinctly defined corners and an average size centered around 75 <span><math><mrow><mo>±</mo></mrow></math></span> 0.74 nm. The proposed SERS substrates have good sensitivity, with a detection limit (LOD) of 1.11 ppm and a quantitation limit (LOQ) of 3.66 ppm in detecting polystyrene (PS) microplastic. The method shows high stability and reproducibility, with an average relative standard deviation (RSD) of 4.86 %. Furthermore, with promising results in tap water tests and mixed microplastic evaluations, our nanosubstrate holds strong potential for real-world testing.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113196"},"PeriodicalIF":4.9,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145060538","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Electronic correlation effects on zinc-ion migration in V2O5: A DFT+U study V2O5中锌离子迁移的电子相关效应:DFT+U研究
IF 4.9 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-09-12 DOI: 10.1016/j.jpcs.2025.113172
Y.M. Plotnikov , Dm.M. Korotin
{"title":"Electronic correlation effects on zinc-ion migration in V2O5: A DFT+U study","authors":"Y.M. Plotnikov ,&nbsp;Dm.M. Korotin","doi":"10.1016/j.jpcs.2025.113172","DOIUrl":"10.1016/j.jpcs.2025.113172","url":null,"abstract":"<div><div>We investigate the role of on-site Coulomb interactions in determining the structural, electronic, and ion transport properties of Zn<sub>0.5</sub>V<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>O<span><math><msub><mrow></mrow><mrow><mn>5</mn></mrow></msub></math></span> using density functional theory with Hubbard <span><math><mi>U</mi></math></span> correction (DFT+<span><math><mi>U</mi></math></span>). We analyze the system’s properties as a function of the Hubbard parameter and compute its <em>ab initio</em> value using density functional perturbation theory. Our calculations reveal a metal-to-insulator transition in Zn<sub>0.5</sub>V<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>O<span><math><msub><mrow></mrow><mrow><mn>5</mn></mrow></msub></math></span> at <span><math><mrow><mi>U</mi><mo>≈</mo><mn>2</mn><mspace></mspace><mi>eV</mi></mrow></math></span>, accompanied by the emergence of antiferromagnetic ordering on vanadium sites and significant structural modifications. Most importantly, we demonstrate that Zn ion migration barriers exhibit non-monotonic dependence on the correlation strength. While the migration barrier (0.376 eV) calculated using the <em>ab initio</em> <span><math><mi>U</mi></math></span> value appears similar to that (0.353 eV) from nonmagnetic DFT calculations, the underlying electronic and magnetic structures differ fundamentally, highlighting the critical importance of properly accounting for correlation effects in this system. Furthermore, our differential charge density analysis reveals that the change in localization of electronic states with increasing <span><math><mi>U</mi></math></span> strongly affects the interaction between the Zn ion and the host structure, playing a crucial role in determining the migration behavior.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113172"},"PeriodicalIF":4.9,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145104290","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Enhanced photocatalytic performance of gully-like AgI/Cu–TiO2 composites with synergistic effects of phase junction and S-scheme heterojunction 相结和s型异质结的协同作用增强了沟槽型AgI/ Cu-TiO2复合材料的光催化性能
IF 4.9 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-09-11 DOI: 10.1016/j.jpcs.2025.113197
Qianqian Wu , Dandan Lv , Tianyu Hu , Li Li , Wengjing Zhang , Hanxu Wang , Qianyin Gao , Zhining Zhao
{"title":"Enhanced photocatalytic performance of gully-like AgI/Cu–TiO2 composites with synergistic effects of phase junction and S-scheme heterojunction","authors":"Qianqian Wu ,&nbsp;Dandan Lv ,&nbsp;Tianyu Hu ,&nbsp;Li Li ,&nbsp;Wengjing Zhang ,&nbsp;Hanxu Wang ,&nbsp;Qianyin Gao ,&nbsp;Zhining Zhao","doi":"10.1016/j.jpcs.2025.113197","DOIUrl":"10.1016/j.jpcs.2025.113197","url":null,"abstract":"<div><div>Using polystyrene (PS) spheres as templates, Cu–TiO<sub>2</sub>(G) photocatalysts with gully structures were prepared by the sol–gel and ion doping method. AgI/Cu–TiO<sub>2</sub>(G) composites were then successfully prepared via AgI nanoparticles depositing on Cu–TiO<sub>2</sub>(G) composites in situ. The characterization results show that the composite material presents uneven gully morphology, and gully widths is uniform and neatly arranged. Cu doping and AgI loading cooperatively improve the visible light absorption of AgI/Cu–TiO<sub>2</sub>(G) composite and reduce the band gap energy of the material. In addition, in AgI/Cu–TiO<sub>2</sub>(G) composites, anatase TiO<sub>2</sub> forms phase junctions and heterojunctions with rutile TiO<sub>2</sub> and AgI, respectively, which improve the separation and migration efficiency of photogenerated carriers. AgI/Cu–TiO<sub>2</sub>(G) composites exhibit excellent photocatalytic activity in the multi-mode photocatalytic degradation reaction. Meanwhile, this composite material demonstrates a higher catalytic activity in the photocatalytic water decomposition for hydrogen production experiments under simulated sunlight irradiation, and its hydrogen production rate is approximately 10.8 times that of pure TiO<sub>2</sub>. The charge separation efficiency is enhanced because the S-scheme heterojunction is constructed between AgI and TiO<sub>2</sub>, and the homojunction is formed between the anatase and rutile phases of TiO<sub>2</sub>, which further improving the photocatalytic performance.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113197"},"PeriodicalIF":4.9,"publicationDate":"2025-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145104289","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Binder-free Co3O4 sheet-like morphology on 3D nickel foam for efficient alkaline water electrolysis 无粘结剂的Co3O4片状三维泡沫镍的高效碱性电解
IF 4.9 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-09-11 DOI: 10.1016/j.jpcs.2025.113203
Maxwell F.L. Garcia , Gelmires A. Neves , Jakeline R.D. Santos , Daniel A. Macedo , Luis C.C. Arzuza , Allan J.M. Araújo , Francisco J.A. Loureiro , Rafael A. Raimundo , Romualdo R. Menezes
{"title":"Binder-free Co3O4 sheet-like morphology on 3D nickel foam for efficient alkaline water electrolysis","authors":"Maxwell F.L. Garcia ,&nbsp;Gelmires A. Neves ,&nbsp;Jakeline R.D. Santos ,&nbsp;Daniel A. Macedo ,&nbsp;Luis C.C. Arzuza ,&nbsp;Allan J.M. Araújo ,&nbsp;Francisco J.A. Loureiro ,&nbsp;Rafael A. Raimundo ,&nbsp;Romualdo R. Menezes","doi":"10.1016/j.jpcs.2025.113203","DOIUrl":"10.1016/j.jpcs.2025.113203","url":null,"abstract":"<div><div>This study presents an eco-friendly and efficient strategy for designing electrocatalysts for water electrolysis, particularly targeting the oxygen evolution reaction (OER). The electrocatalyst was developed from ligand-free cobalt oxide (Co<sub>3</sub>O<sub>4</sub>) nanoparticles grown directly on three-dimensional Nickel foam using a green sol-gel method followed by a closed low-temperature process and annealing. Uniquely, the synthesis used agar-agar (a natural polysaccharide from red algae) as a low-cost, biodegradable polymerizing agent. The resulting Co<sub>3</sub>O<sub>4</sub>/Ni foam electrodes showcased excellent structural integrity, with well-distributed nanoparticles forming a porous, sheet-like morphology. Compared to commercial Co<sub>3</sub>O<sub>4</sub> catalysts, the grown electrodes displayed significantly better electrochemical performance — including a lower overpotential (η<sub>30</sub> = 332 mV), a favorable Tafel slope (70 mV dec<sup>−1</sup>), and greater electrochemically active surface area (ECSA). The improved kinetics were associated with increased in-situ growth, thus increasing the active surface area, and efficient charge transfer dynamics, confirmed by impedance spectroscopy. Importantly, the electrode maintained long-term stability over 15 h of continuous operation, making it a promising, sustainable candidate for noble-metal-free alkaline water splitting. This work paves the way for future development of eco-conscious and scalable electrocatalyst technologies.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113203"},"PeriodicalIF":4.9,"publicationDate":"2025-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145060251","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Divalent ion exchange in Na2MgCl4 double chloride enabling new effective solid-state electrolytes for sodium ion batteries Na2MgCl4双氯化物中的二价离子交换使钠离子电池的新型有效固态电解质成为可能
IF 4.9 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-09-10 DOI: 10.1016/j.jpcs.2025.113194
Yohandys A. Zulueta , Cam-Nhung Le , Duy-Quang T. Nguyen , My-Phuong Pham-Ho , Minh Tho Nguyen
{"title":"Divalent ion exchange in Na2MgCl4 double chloride enabling new effective solid-state electrolytes for sodium ion batteries","authors":"Yohandys A. Zulueta ,&nbsp;Cam-Nhung Le ,&nbsp;Duy-Quang T. Nguyen ,&nbsp;My-Phuong Pham-Ho ,&nbsp;Minh Tho Nguyen","doi":"10.1016/j.jpcs.2025.113194","DOIUrl":"10.1016/j.jpcs.2025.113194","url":null,"abstract":"<div><div>The search for new solid-state electrolytes for sodium-ion batteries is essential to enhance energy storage performance and stability. This study explores the potential of Na<sub>2</sub>MCl<sub>4</sub> (M<sup>2+</sup> = Mg<sup>2+</sup>, Zn<sup>2+</sup>, Ca<sup>2+</sup> and Sr<sup>2+</sup>) as battery materials using advanced atomistic simulations. Structural analysis reveals that Na<sub>2</sub>SrCl<sub>4</sub> has the largest unit cell due to its larger cationic radius, followed by Na<sub>2</sub>CaCl<sub>4</sub>, both introducing subtle octahedral distortions. Energy gap trends highlight the impact of cation selection on electronic properties, while polyhedral volume variations influence lattice stability. Defect analysis confirms the NaCl Schottky defect as the most favourable, with decreasing solution energy as the cation size increases, reinforcing ambient stability. Na<sub>2</sub>ZnCl<sub>4</sub> emerges as the most stable compound based on defect formation energies. Mechanical properties show a decrease of both bulk and shear modulus with respect to an increase of cation size, where most compounds meet the shear modulus threshold for dendrite suppression, except for Na<sub>2</sub>SrCl<sub>4</sub>. Pugh's ratio confirms their ductile nature, supporting their viability as solid-state electrolytes. Transport property evaluations reveal that smaller cations such as Mg<sup>2+</sup> and Zn<sup>2+</sup> enhance Na<sup>+</sup> mobility by reducing activation barriers and improving ionic conductivity. Specifically, Na<sub>2</sub>MgCl<sub>4</sub> exhibits the lowest activation energy for conductivity at 0.17 eV, while Na<sub>2</sub>ZnCl<sub>4</sub> shows the highest conductivity at 0.215 mScm<sup>−1</sup>, reinforcing their efficiency for Na<sup>+</sup> transport. Optimizations of lattice interactions can further enhance the sodium ion diffusion, making these materials strong candidates for solid-state battery applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113194"},"PeriodicalIF":4.9,"publicationDate":"2025-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145057229","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
La2MnFeO6-double perovskite decorated 2D Ti3C2-Mxene hybrid nanocomposite for superior energy density supercapacitor for efficient LED powering la2mnfeo6 -双钙钛矿修饰二维Ti3C2-Mxene杂化纳米复合材料用于高效LED供电的高能量密度超级电容器
IF 4.9 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-09-10 DOI: 10.1016/j.jpcs.2025.113167
Ahmar Ali , Mohammed A. Gondal , Adnan Majeed , Javed A. Khan
{"title":"La2MnFeO6-double perovskite decorated 2D Ti3C2-Mxene hybrid nanocomposite for superior energy density supercapacitor for efficient LED powering","authors":"Ahmar Ali ,&nbsp;Mohammed A. Gondal ,&nbsp;Adnan Majeed ,&nbsp;Javed A. Khan","doi":"10.1016/j.jpcs.2025.113167","DOIUrl":"10.1016/j.jpcs.2025.113167","url":null,"abstract":"<div><div>The advancement in electrode materials is crucial for the development of high-performance energy storage devices. In this study, we report the synthesis and characterization of a novel nanocomposite consisting of La<sub>2</sub>MnFeO<sub>6</sub> (LMFO) perovskite oxide and 2D Ti<sub>3</sub>C<sub>2</sub> MXene for supercapacitor applications. The LMFO/Ti<sub>3</sub>C<sub>2</sub> nanocomposite leverages the high redox activity of LMFO and the exceptional electrical conductivity and layered structure of Ti<sub>3</sub>C<sub>2</sub>, yielding a synergistic effect that enhances electrochemical performance. Comprehensive characterization using X-ray diffraction (XRD), Field Emission Scanning Electron Microscopy (FESEM), Transmission Electron Microscopy (TEM), and X-ray photoelectron spectroscopy (XPS) confirms the successful integration of LMFO and Ti<sub>3</sub>C<sub>2</sub>. Electrochemical evaluations in a two-electrode system demonstrate a specific capacitance of 78.0 F g<sup>−1</sup> at 0.2 A g<sup>−1</sup>, an energy density of 67.70 Wh. kg<sup>−1</sup>, and a power density of 250 W kg<sup>−1</sup> over a wide potential window (0–2.5 V). Electrochemical Impedance Spectroscopy (EIS) verifies the low charge transfer resistance of the device. Notably, the incorporation of Ti<sub>3</sub>C<sub>2</sub> enhances the conductivity of the electrode material. This work highlights the potential of LMFO/Ti<sub>3</sub>C<sub>2</sub> nanocomposites as efficient and durable electrode materials, offering a promising avenue for sustainable energy storage systems.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113167"},"PeriodicalIF":4.9,"publicationDate":"2025-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145057234","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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