Journal of Physics and Chemistry of Solids最新文献

{"title":"Catalytic behaviour of iron-based nanomaterials for the remediation of hazardous chemicals from wastewater: A Review","authors":"Guddappa Halligudra ,&nbsp;Chetana Sabbanahalli ,&nbsp;Seema Singh ,&nbsp;Priyvart Choudhary ,&nbsp;Madhusudhana R ,&nbsp;Girish Tigari ,&nbsp;Shantharaja ,&nbsp;Shang-Lien Lo","doi":"10.1016/j.jpcs.2025.112735","DOIUrl":"10.1016/j.jpcs.2025.112735","url":null,"abstract":"<div><div>Recently, catalytic oxidation of emerging pollutants in wastewater with iron-based catalysts have sparked public concern. Up to now, diversity including zero-valent iron (nZVI), Fe²⁺/Fe³⁺, ZVI, iron oxides (FeO, Fe₂O₃, Fe₃O₄, FeOOH), and Fe-bimetallic catalysts formed due to different phases and valances. A full consideration on the synthesis and catalytic applications of them were little concerned. Different phases of the iron oxides based magnetic nanocomposites (NCs) and nanomaterials (NMs) were studied and discussed in pollutant remediation including pharmaceutical compounds, phenolic compounds, dyes and heavy metals. Factors that influence the recovery of these materials are outlined, detailing the challenges associated with the collection of magnetic particles, and methods for improving their stability are also summarized. This review could encourage the readers to improve the synthesis approaches of iron-based catalysts with excellent catalytic activity for making the catalytic oxidation procedure and to know the degradation mechanism of hazardous organic chemicals in wastewater.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"203 ","pages":"Article 112735"},"PeriodicalIF":4.3,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143761091","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}

{"title":"Comprehensive analysis of p-nitro phenol p-amino benzoic acid monohydrate crystals: Structural, mechanical, linear and nonlinear optical properties","authors":"Sachin Yadav ,&nbsp;Kaphi ,&nbsp;Vinod ,&nbsp;Sanyam Jain ,&nbsp;Aditya Yadav ,&nbsp;Anuj Krishna ,&nbsp;N. Vijayan ,&nbsp;B. Sridhar ,&nbsp;Rajiv Singh ,&nbsp;Govind Gupta","doi":"10.1016/j.jpcs.2025.112726","DOIUrl":"10.1016/j.jpcs.2025.112726","url":null,"abstract":"<div><div>Organic single crystals, with their exceptional nonlinear optical properties and highly tuneable characteristics, are increasingly recognized as promising materials for photonic and optoelectronic applications. In this study, p-nitro phenol p-amino benzoic acid monohydrate (PNPAB) single crystals were successfully grown using the slow evaporation solution technique. Methanol was utilized as the solvent, and the crystal growth process was carefully controlled at a constant temperature to promote uniformity and defect free formation. Crystal's lattice structure was unveiled through single crystal X-ray diffraction, and crystalline integrity meticulously examined with high-resolution X-ray diffraction. Spectral analysis using Fourier transform infrared techniques was conducted to determine presence of functional groups. UV–Vis analysis of PNPAB crystal showed an absorption edge at 406 nm with a band gap of 3.05 eV, while photoluminescence displayed emission at 435 nm upon 378 nm excitation, indicating potential for optoelectronic applications. Third-order nonlinear optical (TONLO) properties were explored using an ultrafast (40-fs) laser at 800 nm, employing both open and closed aperture Z-scan techniques. PNPAB is identified as a highly promising material for optical limiting applications due to its unique properties and effectiveness in managing excessive light levels.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"203 ","pages":"Article 112726"},"PeriodicalIF":4.3,"publicationDate":"2025-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143739663","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}

{"title":"A giant enhancement of capacitance in graphene supercapacitors by introducing on their electrodes recycled hydroxyapatite from bovine bone","authors":"Luis Ojeda ,&nbsp;Angelica M. Castillo-Paz ,&nbsp;Arturo I. Mtz-Enriquez ,&nbsp;Juan P. Quintero ,&nbsp;Cristian Gomez-Solis ,&nbsp;Mario E. Rodriguez-Garcia ,&nbsp;Jorge Oliva","doi":"10.1016/j.jpcs.2025.112725","DOIUrl":"10.1016/j.jpcs.2025.112725","url":null,"abstract":"<div><div>This study investigates the use of hydroxyapatite (HAp) from bovine bone waste (HAp-N) to produce supercapacitors (SC). For this purpose, graphene (G) electrodes were coated with a layer of the extracted HAp-N powder. With these G + HAp-N electrodes, the fabricated SC device, referred to as G + HAp-N-SC, exhibited a capacitance of 652.65 F g⁻¹ and an energy density of 90.64 Wh kg⁻¹. To see the effect of using the natural HAp, a second SC device was made with synthetic HAp (HAp-S), which was deposited on the SC electrodes. This device was named G + HAp-S-SC and achieved maximum capacitance of 526.37 F g⁻¹ and energy density of 73.10 Wh kg⁻¹. In addition, SCs made with HAp-N had 23 % higher capacitance than these made with HAp-S. In addition, HAp-N was combined with Vanadium Oxide (V₂O₅, VO) in a physical mixture of 50 wt%. The HAp-N/VO mixture was deposited on the G electrodes and the SC labeled as G + HAp-N-VO-SC was fabricated. This third device showed an exceptional capacitance of 1698.02 F g⁻¹ and an excellent energy density of 235.83 Wh kg⁻¹. The G + HAp-N-VO-SC device made with VO had 160 % higher capacitance compared to the G + HAp-N-SC device. In addition, both HAp-N and VO contained abundant oxygen vacancy defects, which acted as electron traps according to UV–Vis and Raman measurements. In addition, XPS analysis revealed that the VO with different oxidation states of 5+, 4+ and 3+ contributed to the storage of charge through redox reactions. Interestingly, the thermochromic property of the VO allowed the operation of G + HAp-N-VO-SC device at a high temperature of 80 °C. In fact, under temperature of 80 °C, the device retained 91 % of its initial capacitance after 1000 charge/discharge cycles, while the capacitance retention at room temperature (RT), was 95 %. Meanwhile, 92 % of the primary capacitance of the G + HAp-N-VO-SC device was retained after 1000 bending cycles at RT. Overall, the direct use of HAp from bovine bone waste for the fabrication of SCs is promising for the development of low-cost energy storage devices. In fact, the high energy density obtained from the HAp based SCs (which are compact and flexible) suggests that they could be used as energy source for wearable electronics.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"203 ","pages":"Article 112725"},"PeriodicalIF":4.3,"publicationDate":"2025-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143724567","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhancing resistive switching behavior in double perovskites through doping and silver vacancies: A first-principles analysis","authors":"Aqsa Arooj ,&nbsp;Muhammad Imran ,&nbsp;Sarfraz Ahmad ,&nbsp;Mansour K. Gatasheh ,&nbsp;Fayyaz Hussain ,&nbsp;Syed Mansoor Ali ,&nbsp;Rana Muhammad Arif Khalil ,&nbsp;Muhammad Fahad Ehsan","doi":"10.1016/j.jpcs.2025.112714","DOIUrl":"10.1016/j.jpcs.2025.112714","url":null,"abstract":"<div><div>Double perovskites with formula A₂BB’X₆ offer a broad range of compositions, making them promising for discovering new materials with unique properties, especially for Resistive Random-Access Memory (RRAM) applications. A detailed study of the physical properties of Rb₂XAgCl₆ (X = Sc, Y, In, Ga) double perovskites is performed using PBE-GGA and HSE-06 approximations. To understand the resistive switching mechanisms, the role of doping and V_Ag in these materials is explored by analyzing their electronic properties, including band structure and total density of states. The pristine materials originally had wide band gaps of 3.59 eV and 3.28 eV. Upon substituting Sc and Y with In and Ga using PBE-GGA, these were significantly reduced to 0.96 eV and 0.97 eV, respectively. However, with HSE-06 calculations, the band gaps improved to 3.50 eV and 3.92 eV for Sc and Y materials and 1.49 eV and 1.01 eV for the In and Ga, indicating a notable enhancement in band gap values compared to PBE-GGA. Introducing V_Ag (vacancy of silver) into doped structure further decrease the band gaps to zero, indicating metallic conductivity suitable for resistive switching. The elastic properties confirmed structural stability, even after doping and vacancy creation, maintaining mechanical integrity essential for device durability. Moreover, their optical properties show their potential to absorb significant electromagnetic radiation, enhancing their suitability for advanced memory technologies. The combined properties of these composites demonstrate their suitability for next-generation RRAM devices.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"203 ","pages":"Article 112714"},"PeriodicalIF":4.3,"publicationDate":"2025-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143734723","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}

{"title":"Enhanced sensitivity of photodetectors with ZnSe as electron transport layer and Cz-Pyr as hole transport layer","authors":"Vaibhava Srivastava ,&nbsp;R.K. Chauhan ,&nbsp;Amit Pandey ,&nbsp;Vijay Laxmi Mishra ,&nbsp;Chhavi Mitharwal ,&nbsp;R.S. Bajpai ,&nbsp;Mohit Srivastava ,&nbsp;Gaurav Verma ,&nbsp;Rohit Kumar ,&nbsp;Sachin Singh","doi":"10.1016/j.jpcs.2025.112712","DOIUrl":"10.1016/j.jpcs.2025.112712","url":null,"abstract":"<div><div>Perovskites are extensively employed as photoactive materials in several optoelectronic applications, such as light-emitting diodes, photodetectors, lasers, and solar cells, owing to their remarkable physical characteristics. In this study, we developed a numerical model for a vertical photodetector using a rubidium germanium iodide (RbGeI₃) perovskite layer as the light-absorbing layer, to optimize its performance. The RbGeI₃ perovskite layer acts as the hole transport layer (HTL) and electron transport layer (ETL), utilizing zinc selenide (ZnSe) and Carbazole Pyrene (Cz-Pyr) layers, respectively. Gold (Au) and fluorine-doped tin oxide (FTO) were employed as the top and bottom electrodes. The simulation was conducted using the SCAPS-1D software. The peak responsivity of 0.73 A/W and a detectivity of 4.1 × 10¹² Jones were attained when the photoactive layer's thickness and doping concentration were optimized. These properties allow for device fabrication via solution-processing techniques and enable tuning of the band gap by adjusting the material's size.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"203 ","pages":"Article 112712"},"PeriodicalIF":4.3,"publicationDate":"2025-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143724775","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}

{"title":"An in-depth study on charge transport layers for designing and optimizing high-efficiency lead-free CsSnGeI3-based double-perovskite solar cells: A numerical approach","authors":"M. Khalid Hossain ,&nbsp;Sahjahan Islam ,&nbsp;M. Shihab Uddin ,&nbsp;Prakash Kanjariya ,&nbsp;Asha Rajiv ,&nbsp;Aman Shankhyan ,&nbsp;Helen Merina Albert ,&nbsp;Ahmed Sayed M. Metwally ,&nbsp;Rajesh Haldhar","doi":"10.1016/j.jpcs.2025.112715","DOIUrl":"10.1016/j.jpcs.2025.112715","url":null,"abstract":"<div><div>Perovskite solar cells (PSCs) are regarded as some of the most promising contenders for commercial applications. The extraordinary properties of PSCs have repeatedly impressed scientists. In this context, germanium-based PSCs have attracted the interest of photovoltaic (PV) researchers due to their increased stability and efficiency. In this study, various combinations of lead-free and non-toxic inorganic cesium tin-germanium (CsSnGeI₃)-based PSC configurations were investigated by a numerical simulation software SCAPS-1D using different electron transport layers (ETLs) such as Nb₂O₅, PC₆₁BM, MZO, ZnSe, while C₆TBTAPH₂ is selected as the hole transport layer (HTL), which was chosen for its exceptional properties. To evaluate the cell's performance, influence of material parameters such as layer thickness, absorber acceptor density, and generation rate, absorber radiative recombination rate was examined for each ETL. Furthermore, the effects of operating temperature, shunt resistance, series resistance, J–V characteristics, and quantum efficiency (QE) were explored to determine their impact on cell performance and practical applicability. After optimizing various parameters for four different PSC configurations, FTO/Nb₂O₅/CsSnGeI₃/C₆TBTAPH₂/Au turned out to be the most efficient. The design has a PCE of 30.23 %, <em>J</em>_SC of 29 mA/cm², <em>V</em>_OC of 1.19 V, FF of 88 %, and QE of 100 %. The proposed device performance was found to decrease with rising series resistance (R_S) and temperature, in contrast to the effect of shunt resistance (R_Sh). This simulation work has the potential to help with the design and optimization of Sn-based PSCs, expanding their practical application and giving a viable path for producing highly efficient lead-free PSC devices.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"203 ","pages":"Article 112715"},"PeriodicalIF":4.3,"publicationDate":"2025-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143714473","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}

{"title":"Metallic ferromagnetism with large coercive field in intercalated Fe0.5-xTixTiS2","authors":"A. Maignan,&nbsp;D. Pelloquin,&nbsp;O.I. Lebedev,&nbsp;S. El Haber,&nbsp;R. Daou,&nbsp;S. Hébert","doi":"10.1016/j.jpcs.2025.112710","DOIUrl":"10.1016/j.jpcs.2025.112710","url":null,"abstract":"<div><div>Among the transition metal dichalcogenides, iron-intercalated TiS₂ exhibits antiferromagnetism with a large coercive field at the metamagnetic transition when y ≈ 0.5 in Fe_yTiS₂. This composition region marks the transition in the ground state from an antiferromagnetic metal to ferromagnetic insulator. Nonetheless, as y increases near y = 0.5 in Fe_yTiS₂, the charge carrier concentration increases, going with Fe substitution for Ti in the TiS₂ slabs (y &gt; 0.5) that hinders a ferromagnetic metal to be set. To avoid it, a series of Fe_0.5-xTi_xTiS₂ samples (0≤x ≤ 0.075) was studied. Seebeck measurements confirm that despite the x increase, the charge carrier concentration remains constant. As a result, the T-dependent magnetic susceptibility and electrical resistivity reveal that a change from antiferromagnetic metal (x = 0.00) to a ferromagnetic metal (x &gt; 0.00) can be induced, with a transition temperature decreasing from T_N = 140K (x = 0.00) to T_C = 130K (x = 0.075). This metallicity increase in the ferromagnetic state reflects the reduced charge scattering responsible for the peak at T_C of the negative magnetoresistance. Both very large H_c values, such as μ₀H_c = 7.2T at 5K for Fe_0.425Ti_0.075TiS₂, and magnetization jumps at 2K in the M(H) loops are observed.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"203 ","pages":"Article 112710"},"PeriodicalIF":4.3,"publicationDate":"2025-03-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143696130","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}

{"title":"Influence of crystallographic planes on mechanical properties and photodetection characteristics in ambient-grown MAPbI3 perovskite single crystals","authors":"Karan Grover ,&nbsp;Jai shree Choudhary ,&nbsp;Preetika Dhawan ,&nbsp;Ranjana Jha ,&nbsp;Harsh Yadav","doi":"10.1016/j.jpcs.2025.112713","DOIUrl":"10.1016/j.jpcs.2025.112713","url":null,"abstract":"<div><div>Hybrid perovskite single crystals have recently drawn significant interest for their innovative potential in diverse optoelectronic technologies. However, their mechanical properties have remained relatively underexplored, even though it plays a crucial role in determining device durability and long-term performance. In this work, single crystals of MAPbI₃ perovskite were grown using a seeding-induced Inverse Temperature Crystallization (ITC) method. Since, in a single crystal the atomic arrangements can vary along different crystallographic directions, we investigated the mechanical properties of the (100) and (112) crystallographic planes using Vicker's microhardness technique. The results revealed mechanical anisotropy, with the (112) plane exhibiting higher hardness value than (100) plane. These findings were further analyzed using Meyer's law, the Hays and Kendall (HK) law, and the Elastic Plastic Deformation (EPD) law. Additionally, photodetection performance of both planes was evaluated across a wide range of visible light. The (112) plane demonstrated superior performance, with significantly higher photocurrent values, 1.5 times increase in ON/OFF ratio, and improved response and recovery times. These findings highlight the superior mechanical and electrical properties of MAPbI₃ perovskite crystals along (112) crystallographic orientation, making it the preferred choice for device applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"203 ","pages":"Article 112713"},"PeriodicalIF":4.3,"publicationDate":"2025-03-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143696132","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}

{"title":"Over-room-temperature strain robust half-metallicity and variations in the co-oxidation/spin states in Ni-doped La2FeCoO6","authors":"Maryam Bibi ,&nbsp;Hafiz Tauqeer Ali ,&nbsp;S. Nazir","doi":"10.1016/j.jpcs.2025.112680","DOIUrl":"10.1016/j.jpcs.2025.112680","url":null,"abstract":"&lt;div&gt;&lt;div&gt;Half-metals (HM) hold immense potential for applications in modern nanoelectronics devices because of their 100% spin polarization (SP) at the Fermi level (&lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;E&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;), which allows them to produce purely spin-resolved currents. Herein, the physical features of the La&lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;FeCoO&lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;6&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt; double perovskite oxide are investigated under the consequence of Ni-doping at the Fe/Co/FeCo-site (Ni@Fe/Ni@Co/Ni@FeCo) along with biaxial ([110]) strain using &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;a&lt;/mi&gt;&lt;mi&gt;b&lt;/mi&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;-&lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;i&lt;/mi&gt;&lt;mi&gt;n&lt;/mi&gt;&lt;mi&gt;i&lt;/mi&gt;&lt;mi&gt;t&lt;/mi&gt;&lt;mi&gt;o&lt;/mi&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; calculations. The “&lt;span&gt;&lt;math&gt;&lt;mo&gt;−&lt;/mo&gt;&lt;/math&gt;&lt;/span&gt;” values of determined formation enthalpies ensure the thermodynamical stability of the structures. The pristine system is a ferromagnetic semiconductor owing an energy gap (&lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;E&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;g&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;) of 2.04 eV. Strikingly, a half-metallic (100% SP) behavior is acquired for all Ni-doped structures, where Ni 3&lt;span&gt;&lt;math&gt;&lt;mi&gt;d&lt;/mi&gt;&lt;/math&gt;&lt;/span&gt; states significantly facilitate the conductivity of the spin-majority (N&lt;span&gt;&lt;math&gt;&lt;msup&gt;&lt;mrow&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;↑&lt;/mi&gt;&lt;/mrow&gt;&lt;/msup&gt;&lt;/math&gt;&lt;/span&gt;) channels. Conversely, the spin-minority (N&lt;span&gt;&lt;math&gt;&lt;msup&gt;&lt;mrow&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;↓&lt;/mi&gt;&lt;/mrow&gt;&lt;/msup&gt;&lt;/math&gt;&lt;/span&gt;) channels illustrate an insulating character owing a large &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;E&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;g&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt; of 2.55/1.55/1.82 eV for the Ni@Fe/Ni@Co/Ni@FeCo-doped system, which appears to be sufficient to inhibit spin-flipping and assure an effective spin-filtering response. Surprisingly, Co changes its oxidation state from ＋ 4 (high spin state) to ＋ 3 (intermediate spin state)/＋ 3 (high spin state) due to a significant increase in its partial spin moment &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;m&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;s&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt; from 0.32 to &lt;span&gt;&lt;math&gt;&lt;mo&gt;∼&lt;/mo&gt;&lt;/math&gt;&lt;/span&gt;2.0/3.09 &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;μ&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;B&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt; in the Ni@Fe/Ni@FeCo-doped system. However, in the Ni@Fe, it remains in ＋ 4 (high spin state) with a spin moment of 0.36 &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;μ&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;B&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;. Moreover, all the structures have &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;T&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;C&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt; above room temperature of 385/366/350/340 K in the pristine/Ni@Fe/Ni@FeCo-doped system, making them highly desirable candidates for device applications. Eventually, the robustness of the FM HM phase of the Ni-doped systems is analyzed, which remains preserved for a reasonable &lt;span&gt;&lt;math&gt;&lt;mo&gt;±&lt;/mo&gt;&lt;/math&gt;&lt;/span&gt;5% strain. Thus, the present investigation is expected to trigger further experime","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"203 ","pages":"Article 112680"},"PeriodicalIF":4.3,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143681498","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}

{"title":"Temperature-dependent structural tuning of flower-like NiFe2O4 nanostructures as simplistic electrocatalyst for oxygen evolution reaction toward alkaline water splitting","authors":"Sushama M. Nikam ,&nbsp;Shubham D. Jituri ,&nbsp;Shamal R. Shingte ,&nbsp;Prashant B. Patil ,&nbsp;Shoyebmohamad F. Shaikh ,&nbsp;H.M. Pathan ,&nbsp;Akbar I. Inamdar ,&nbsp;Sarfraj H. Mujawar","doi":"10.1016/j.jpcs.2025.112711","DOIUrl":"10.1016/j.jpcs.2025.112711","url":null,"abstract":"<div><div>Electrochemical water splitting is one of the best routes to produce highly demanding carbon-neutral green hydrogen using renewable energy sources. Therefore, oxygen evolution reaction (OER) which is bottleneck in electrocatalysis process due to its sluggish kinetics needs to be evaluated. In this work we fabricated flower like nickel ferrites with different annealing temperatures via chemical bath deposition technique and they are utilized for the OER properties. The nickel ferrite thin film annealed at 200 °C was found to be the most active OER electrocatalyst among the tested materials in 1 M KOH electrolyte. It exhibited an overpotential of 372 mV (vs RHE) at a current density of 20 mA cm<strong>⁻</strong>² and an ultralow Tafel slope of 42 mV dec⁻¹ revealing faster reaction kinetics of the catalyst. Moreover, the catalysts showed outstanding electrochemical stability tested for more than 10 h of continuous operation in alkaline electrolyte without deviation in its overpotentials. It has been evidenced that the OER enhancement is due to the increased number of active sites, faster reaction kinetics (<em>Rct</em> = 0.42 Ω), hydrophilic surface properties, and high electrochemical surface area of 222 cm². Thus, this work represents a simple and cost-effective way to develop catalyst materials for water splitting.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"203 ","pages":"Article 112711"},"PeriodicalIF":4.3,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143681482","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}