Journal of Physics and Chemistry of Solids最新文献

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Dual-functional porous Si@C composites from ferrosilicon: Toward high-capacity LIB anodes and high-performance supercapacitors 硅铁双功能多孔Si@C复合材料:迈向高容量锂离子电池阳极和高性能超级电容器
IF 4.9 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-09-02 DOI: 10.1016/j.jpcs.2025.113160
S. Muhammad H. Hoseini , M. Adeli , H. Ghadimi Mahanipour , Vahid Mahdikhah
{"title":"Dual-functional porous Si@C composites from ferrosilicon: Toward high-capacity LIB anodes and high-performance supercapacitors","authors":"S. Muhammad H. Hoseini ,&nbsp;M. Adeli ,&nbsp;H. Ghadimi Mahanipour ,&nbsp;Vahid Mahdikhah","doi":"10.1016/j.jpcs.2025.113160","DOIUrl":"10.1016/j.jpcs.2025.113160","url":null,"abstract":"<div><div>Silicon is regarded as the most important anode material for lithium-ion batteries (LIBs) due to its low working potential (&lt;0.5 V) and high theoretical specific capacity (3579 mAh g<sup>−1</sup>). However, Si-based anodes experience internal mechanical strain, pulverization of silicon particles during charging and discharging, and poor electrical conductivity (6.7 × 10<sup>−4</sup> S cm<sup>−1</sup>). The effectiveness of various nanostructured architectures in resolving the problems with high-capacity Si anodes has been established. In this study, industrial ferrosilicon was used as a low-cost Si source, and a scalable method was introduced to construct a porous Si@C composite anode using two-step leaching–ball milling followed by heat treatment, through which porous Si nanoparticles are wrapped with multilayer carbon sheets derived from polyacrylonitrile (PAN). By encapsulating porous silicon nanoparticles with multiple layers of carbon sheets, creating a dependable framework for conductivity was made possible, ensuring fast transport of electrons, that also mitigated the changes in volume of silicon. This technique was both scalable and straightforward, utilizing cost-effective industrial ferrosilicon as a source of silicon. The nano-sized porous Si/C anode therefore achieves a steady cycling with 887.1 mAh g<sup>−1</sup> more than 200 cycles at 1 A g<sup>−1</sup> and a rate capability of 657.2 mAh g<sup>−1</sup> at 5 A g<sup>−1</sup>. Also, the resulting porous Si@C powders were evaluated for their electrochemical performance as supercapacitor electrodes. The specific capacitance of the porous Si@C powders was found to be 1494 F g<sup>−1</sup> at 1 A g<sup>−1</sup>, decreasing to 894 F g<sup>−1</sup> at 10 A g<sup>−1</sup>. Additionally, a hybrid capacitor comprising of the porous Si@C powders and activated carbon was tested, which exhibited comparable electrochemical energy storage performance. The energy density of this hybrid capacitor was measured to be 37.2 W h kg<sup>−1</sup> at a power density of 694 W kg<sup>−1</sup>. These findings demonstrate the potential of using Si-based electrodes in supercapacitors, particularly porous Si@C powders, to improve their performance.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113160"},"PeriodicalIF":4.9,"publicationDate":"2025-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144996560","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
Recent trends of green hydrogen production via nano-photocatalysts 纳米光催化剂绿色制氢的最新趋势
IF 4.9 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-09-02 DOI: 10.1016/j.jpcs.2025.113151
Tiruwork Girma Hailu , Ababay Ketema Worku , Segenet Dagmawi Agegnehu
{"title":"Recent trends of green hydrogen production via nano-photocatalysts","authors":"Tiruwork Girma Hailu ,&nbsp;Ababay Ketema Worku ,&nbsp;Segenet Dagmawi Agegnehu","doi":"10.1016/j.jpcs.2025.113151","DOIUrl":"10.1016/j.jpcs.2025.113151","url":null,"abstract":"<div><div>Hydrogen production from water sources using sunlight energy and catalysts has recently been found to be an ideal future fuel. Photocatalytic water-splitting is one of the most promising methods powered by sunlight for hydrogen production. However, the stability and scalability, catalyst degradation, and high production costs remain challenges. Through large-scale implementation of nanophotocatalysts, hybrid catalytic systems, and integration with machine learning and artificial intelligence constraints can be overcome these challenges. This Review article mainly discusses the basic principle of green hydrogen production by photocatalysis techniques by examining its features. Advancements in novel photocatalysts materials with their unique features, and green hydrogen production approaches are discussed. Additionally, the review confers how nanomaterials can significantly reduce energy losses compared to bulk one, paving the way for scalable, low-carbon hydrogen production. Besides, nano-photocatalyst durability, developing hybrid systems, and leveraging machine learning to accelerate the discovery of more efficient materials for lowering carbon footprint and driving the global transformation to clean energy. Moreover, factors that determine the property of nanophotocatalysts for hydrogen production have been summarized. Critical challenges, prospects, and the requirements for producing H<sub>2</sub> are also highlighted.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113151"},"PeriodicalIF":4.9,"publicationDate":"2025-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144996686","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 magnetic properties and room temperature magnetodielectric response in (1-x) Bi2Fe4O9 – (x) La0·67Sr0·33MnO3 (x = 0.1-0.3) composites 增强了(1-x) Bi2Fe4O9 - (x) La0·67Sr0·33MnO3 (x = 0.1-0.3)复合材料的磁性能和室温磁介电响应
IF 4.9 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-09-02 DOI: 10.1016/j.jpcs.2025.113159
Abhipsa Pati , S.R. Mohapatra , S.D. Kaushik , Soumen Dhara , D.P. Sahu , A.K. Singh , Jyotika Nanda , Satya N. Tripathy
{"title":"Enhanced magnetic properties and room temperature magnetodielectric response in (1-x) Bi2Fe4O9 – (x) La0·67Sr0·33MnO3 (x = 0.1-0.3) composites","authors":"Abhipsa Pati ,&nbsp;S.R. Mohapatra ,&nbsp;S.D. Kaushik ,&nbsp;Soumen Dhara ,&nbsp;D.P. Sahu ,&nbsp;A.K. Singh ,&nbsp;Jyotika Nanda ,&nbsp;Satya N. Tripathy","doi":"10.1016/j.jpcs.2025.113159","DOIUrl":"10.1016/j.jpcs.2025.113159","url":null,"abstract":"<div><div>We report an enhanced magnetic and magnetodielectric (MD) coupling in antiferromagnetic (AFM) spin frustrated Bi<sub>2</sub>Fe<sub>4</sub>O<sub>9</sub> (BFO) turned composite with substantial variation of La<sub>0</sub><sub>·</sub><sub>67</sub>Sr<sub>0</sub><sub>·</sub><sub>33</sub>MnO<sub>3</sub> (LSMO). Phase formation is confirmed from room temperature Rietveld refinement of X-ray diffraction data. The composite shows orthorhombic crystal structure with space-group <em>‘Pbam + Pbnm’</em> which is also well supported from Raman spectra. XPS analysis confirmed the existence of multiple valence states of magnetic ions such as Fe<sup>2+</sup>:Fe<sup>3+</sup>:Fe<sup>4+</sup> = 41:45:14 and Mn<sup>3+</sup>:Mn<sup>4+</sup> = 88:12, within experimental limit. This triggers super-exchange and double-exchange interactions thereby contributing significantly to the dielectric and magnetic order parameters. At the same time, with increase in LSMO content an increase in AFM transition temperature (T<sub>N</sub>) close to room temperature is observed. An irreversibility in ZFC-FC data is evidenced for T &lt; 350 K along with an opening in M − H plot, indicating spin-glass behaviour and an onset of weak ferromagnetism in the composites. The latter is found to get enhanced significantly with increase in LSMO content and is also verified from Arrott plots. The dielectric measurements at 0 T and 1.3 T shows anomaly around T<sub>N</sub>, hinting at plausible MD coupling. Further, confirmation to the intrinsic MD coupling is assisted by temperature and magnetic field variation of magnetodielectric effect (MD%) which shows enhanced MD effect effective at room temperature. This intriguing MD coupling could be attributed to inverse Dzyalonshinskii-Moriya interactions between magnetic ions present in the composite due to strong cross coupling. Lastly, from Landau free energy expression, the existence of biquadratic nature of magnetoelectric coupling (<em>P</em><sup><em>2</em></sup><em>M</em><sup><em>2</em></sup>) emerging from the coupling term ‘<em>γP</em><sup><em>2</em></sup><em>M</em><sup><em>2</em></sup>’ is established. At 300 K, <em>γ</em> is ∼1.6 × 10<sup>−2</sup> (emu/g)<sup>−2</sup> for BL70-30 and shows ∼2 % MD response – a nearly eight-fold increase as compared to parent BFO. Hence, the above outcomes highlight the significance of the composite as a viable candidate for multifunctional applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113159"},"PeriodicalIF":4.9,"publicationDate":"2025-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144996557","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
Hydrogen-driven engineering of electronic properties in PbS quantum dots and superlattices PbS量子点和超晶格中电子特性的氢驱动工程
IF 4.9 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-09-02 DOI: 10.1016/j.jpcs.2025.113142
Dang-Huy Ngo , Ngoc Linh Nguyen
{"title":"Hydrogen-driven engineering of electronic properties in PbS quantum dots and superlattices","authors":"Dang-Huy Ngo ,&nbsp;Ngoc Linh Nguyen","doi":"10.1016/j.jpcs.2025.113142","DOIUrl":"10.1016/j.jpcs.2025.113142","url":null,"abstract":"<div><div>Colloidal PbS quantum dots are promising materials for optoelectronic applications thanks to their tunable properties and ability to self-assemble into superlattices. Using first-principles density functional theory with van der Waals corrections, we investigate the impact of hydrogen surface functionalization on the structure, electronic properties, and self-assembly behavior of PbS quantum dots. We find that hydrogenation introduces shallow defect states near the band edges and stabilizes simple cubic superlattice structures, in contrast to the behavior of stoichiometric nanoparticles. The resulting assemblies exhibit a direct band gap with interband states, as well as the mechanical softness characteristic of van der Waals solids. These findings highlight hydrogen treatment as a simple yet effective strategy for tailoring interparticle interactions and electronic properties in PbS quantum dot superlattices, thereby enhancing their potential for photovoltaic and optoelectronic applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113142"},"PeriodicalIF":4.9,"publicationDate":"2025-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144996564","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
Heterojunctions of cobalt-nickel base selenides for high efficiency oxygen evolution reaction at high current density 高电流密度下高效析氧反应的钴镍基硒化物异质结
IF 4.9 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-09-02 DOI: 10.1016/j.jpcs.2025.113158
Guijin Yang , Chen Cheng , Yujun Fu , Dongyang Fang , Yiran Mao , Jinyun Li
{"title":"Heterojunctions of cobalt-nickel base selenides for high efficiency oxygen evolution reaction at high current density","authors":"Guijin Yang ,&nbsp;Chen Cheng ,&nbsp;Yujun Fu ,&nbsp;Dongyang Fang ,&nbsp;Yiran Mao ,&nbsp;Jinyun Li","doi":"10.1016/j.jpcs.2025.113158","DOIUrl":"10.1016/j.jpcs.2025.113158","url":null,"abstract":"<div><div>Developing low-cost, high efficient, and durable non-precious metal electrocatalysts for is for the oxygen evolution reaction (OER) is pivotal for advancing sustainable water electrolysis toward commercial hydrogen production. Herein, CoSe<sub>2</sub>@NiSe<sub>2</sub>/NF heterostructured electrocatalysts were prepared on three-dimensional nickel foam (NF) substrate by facile solution selenization combined with hydrothermal method. The as-prepared catalyst with heterostructure and interconnected flake-like structures optimizes OH<sup>−</sup> intermediate adsorption and accelerates charge transfer at the CoSe<sub>2</sub>/NiSe<sub>2</sub> interfaces, exposes abundant active sites to facilitate mass transport and electrochemical reactions, then boosts the OER performance. Electrochemical measurements demonstrate that the CoSe<sub>2</sub>@NiSe<sub>2</sub>/NF-2 catalyst exhibits an overpotential of 229 mV, a Tafel slope of 43.1 mV/dec, and stable operation for 100 h at 10 mA/cm<sup>2</sup>. Notably, it maintains exceptional durability under industrial-relevant conditions, sustaining stable performance for 400 h at a high current density of 1 A/cm<sup>2</sup>. This work provides a new idea for constructing heterostructured electrocatalysts with optimized electronic structures and robust stability, offering promising insights for the design of high-performance OER catalysts toward practical water-splitting applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113158"},"PeriodicalIF":4.9,"publicationDate":"2025-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144996565","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
Improved PEC performance of SILAR grown ZnO Nanorods by selenization to form ZnO-ZnSe heterostructure 硒化ZnO纳米棒形成ZnO- znse异质结构,提高了ZnO纳米棒的电化学性能
IF 4.9 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-09-01 DOI: 10.1016/j.jpcs.2025.113156
Vishnu Mohan Gore, Shrikrishna Dattatraya Sartale
{"title":"Improved PEC performance of SILAR grown ZnO Nanorods by selenization to form ZnO-ZnSe heterostructure","authors":"Vishnu Mohan Gore,&nbsp;Shrikrishna Dattatraya Sartale","doi":"10.1016/j.jpcs.2025.113156","DOIUrl":"10.1016/j.jpcs.2025.113156","url":null,"abstract":"<div><div>Type-II ZnO-ZnSe heterostructure is formed through surface selenization using an ion-exchange process of SILAR grown ZnO nanorods. This process aims to raise the photoelectrochemical cell (PEC) performance of ZnO nanorods photoanode. The thickness of the ZnSe layer is optimized by varying the Se: NaBH<sub>4</sub> ratios during the ion-exchange process.</div><div>The ZnO-ZnSe heterostructure formation was validated by Raman spectroscopy and X-ray photoelectron spectroscopy studies. Scanning electron microscopy images demonstrated that the ZnSe nanoparticle formation caused the original ZnO nanorod shape to diverge. Photoluminescence confirmed ZnO-ZnSe heterostructure as like UV-vis absorbance `spectroscopy. The I-V characteristics, chronoamperometry (ON/OFF), electrochemical impedance spectroscopy and Mott-Schottky measurements show all-inclusive increment in the PEC performance as a result of surface selenization of the ZnO nanorods photoanode. It is found that the ZnO-ZnSe heterostructure photoanode leverages of extreme photocurrent 0.94mA/cm<sup>2</sup> at 1V vs. Ag/AgCl and a photoconversion efficiency of 0.19 % at 0.89 V vs. RHE. The type-II alignment between ZnO and ZnSe bands result in improved charge collection and a lower recombination rate leading to ZnO-ZnSe heterostructure's enhanced photoelectrochemical performance.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113156"},"PeriodicalIF":4.9,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145003868","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
Tunable spin-crossover in 2D ruthenium metal–organic frameworks based on hexahydroxybenzene ligand 基于六羟基苯配体的二维金属钌有机骨架的可调自旋交叉
IF 4.9 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-09-01 DOI: 10.1016/j.jpcs.2025.113154
Adam Hassan Denawi
{"title":"Tunable spin-crossover in 2D ruthenium metal–organic frameworks based on hexahydroxybenzene ligand","authors":"Adam Hassan Denawi","doi":"10.1016/j.jpcs.2025.113154","DOIUrl":"10.1016/j.jpcs.2025.113154","url":null,"abstract":"<div><div>The main results of this study are the identification of a distinct spin-crossover phenomenon in Ru<sub>3</sub>C<sub>6</sub>O<sub>6</sub> monolayers. The material undergoes a multi-step spin transition, evolving from a low-spin metallic state to an intermediate-spin semiconducting state, and ultimately to a high-spin narrow-gap semiconducting state. This spin-state progression is accompanied by a pronounced modulation of the electronic bandgap, which shifts in response to the spin configuration. As a consequence, the electronic structure and magnetic properties of the material are significantly altered, highlighting its potential for spintronic and tunable electronic applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113154"},"PeriodicalIF":4.9,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144996689","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
Spin-orbit coupling driven A2WCl6 perovskites: DFT exploration of electronic, optical, and photocatalytic potential for H2 generation and CO2 conversion 自旋轨道耦合驱动的A2WCl6钙钛矿:DFT探索H2生成和CO2转化的电子、光学和光催化潜力
IF 4.9 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-09-01 DOI: 10.1016/j.jpcs.2025.113153
Mohamed El Amine El Goutni , Hela Ferjani , Mohammed Batouche , Taieb Seddik
{"title":"Spin-orbit coupling driven A2WCl6 perovskites: DFT exploration of electronic, optical, and photocatalytic potential for H2 generation and CO2 conversion","authors":"Mohamed El Amine El Goutni ,&nbsp;Hela Ferjani ,&nbsp;Mohammed Batouche ,&nbsp;Taieb Seddik","doi":"10.1016/j.jpcs.2025.113153","DOIUrl":"10.1016/j.jpcs.2025.113153","url":null,"abstract":"<div><div>The global climate crisis necessitates sustainable energy solutions, driving research into photocatalytic materials for hydrogen production and CO<sub>2</sub> reduction. This study employs density functional theory (DFT) within the WIEN2k framework to investigate vacancy-ordered double perovskites A<sub>2</sub>WCl<sub>6</sub> (A = Cs, Rb, K, Tl) for photocatalytic and photovoltaic applications. Using the FP-APW + lo method with Wu–Cohen GGA, TB-mBJ corrections, and spin-orbit coupling (SOC), we analyze their structural, mechanical, electronic, and optical properties. The A-site modulation yields direct band gaps of 3.02 eV (Cs), 2.78 eV (Rb), 2.45 eV (K), and 2.22 eV (Tl), with half-metallic ferromagnetic behavior confirmed via spin-polarized calculations (α-spin: metallic, β-spin: semiconducting). Mechanical stability is affirmed by bulk moduli (38.25–42.98 GPa) and B/G ratios (1.97–2.52), ensuring durability in aqueous environments. Optical analyses reveal high visible-light absorption (19.5–33 × 10<sup>5</sup> cm<sup>−1</sup>), low reflectivity (18–25 %), minimal energy loss (&lt;0.5), and tunable exciton binding energies (22.1–42.8 meV), ideal for photocatalysis. Band edge alignments indicate Cs<sub>2</sub>WCl<sub>6</sub> and Rb<sub>2</sub>WCl<sub>6</sub>'s suitability for dual water splitting and CO<sub>2</sub> reduction, while K<sub>2</sub>WCl<sub>6</sub> and Tl<sub>2</sub>WCl<sub>6</sub> require band engineering. These findings position A<sub>2</sub>WCl<sub>6</sub> as promising, stable photocatalysts, with A-site engineering offering precise tunability for solar-driven applications, contributing to sustainable energy advancements.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113153"},"PeriodicalIF":4.9,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144996687","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
Optimization of LiMnFePO4 cathode materials via dual metal coating: A comparative study of copper and nickel surface modification 双金属涂层优化LiMnFePO4正极材料:铜和镍表面改性的比较研究
IF 4.9 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-09-01 DOI: 10.1016/j.jpcs.2025.113150
Chunjie Liu, Hao Qin, Xuetian Li, Zhijiang Liu, Zhongcai Shao
{"title":"Optimization of LiMnFePO4 cathode materials via dual metal coating: A comparative study of copper and nickel surface modification","authors":"Chunjie Liu,&nbsp;Hao Qin,&nbsp;Xuetian Li,&nbsp;Zhijiang Liu,&nbsp;Zhongcai Shao","doi":"10.1016/j.jpcs.2025.113150","DOIUrl":"10.1016/j.jpcs.2025.113150","url":null,"abstract":"<div><div>With the rapid development of the global new energy vehicle market, there is an urgent demand for battery materials with high performance, enhanced safety, and low cost. Lithium manganese iron phosphate (LMFP), as an upgraded version of lithium iron phosphate (LFP), combines the safety and cost-effectiveness of LFP while significantly improving energy density and low-temperature performance, making it a strong contender for next-generation power battery materials. This study focuses on the development of double coating of copper and nickel is carried out on the commercial lithium iron manganese phosphate cathode material through an optimized chemical co-precipitation method, and its surface modification was systematically investigated through a combination of XRD, SEM, and electrochemical performance tests. A comprehensive analysis was conducted to evaluate the effects of varying coating concentrations and mono/dual metal coating configurations on the electrochemical performance. The experimental results demonstrated that the LMFP/CuNi composite with a Cu/Ni ratio of 6:4 exhibited optimal electrochemical performance. The synthesized sample exhibited a discharge capacity of 153.9 mAh·g<sup>−1</sup> at 0.2C rate, with remarkable capacity retention rates of 95.5 %, 94.0 %, and 89.2 % after 100 cycles at 0.5 C, 1 C, and 2 C rates, respectively. Comparative studies between single-coated and dual-coated LMFP materials revealed superior performance in dual-coated systems. The LMFP/CN1 dual-coated sample maintained 88.1 % capacity retention after 200 cycles at 1 C rate. The exchange current density for this optimized material reached 4.58 × 10<sup>−4</sup> A cm<sup>−2</sup>, indicating enhanced electrochemical kinetics. These findings suggest that the Cu/Ni ratio optimization combined with dual-coating strategy significantly improves both the cycling stability and rate capability of LMFP-based cathode materials, demonstrating promising potential for high-performance lithium-ion battery applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"208 ","pages":"Article 113150"},"PeriodicalIF":4.9,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144996688","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
First exploration of LiFe(HPO3)2 as an anode material for Li-ion batteries LiFe(HPO3)2作为锂离子电池负极材料的首次探索
IF 4.9 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-09-01 DOI: 10.1016/j.jpcs.2025.113155
Ikrame Taoufik , M'hamed Oubla , Fouzia Cherkaoui El Moursli , Zineb Edfouf
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