Journal of Physics and Chemistry of Solids最新文献

{"title":"Effect of MgO NPs doping on the optoelectronic and electrochemical behavior of polyethylene oxide (PEO) nanocomposite polymer electrolyte","authors":"Shweta Agrahari ,&nbsp;Satya Pal Singh ,&nbsp;Abhishek Kumar Gupta","doi":"10.1016/j.jpcs.2025.112706","DOIUrl":"10.1016/j.jpcs.2025.112706","url":null,"abstract":"<div><div>Nanocomposite polymer electrolytes provide new alternatives for rechargeable magnesium ion batteries. Magnesium is a divalent charge carrier with several advantages over other metals, such as Li or Na ions for battery applications. Magnesium batteries have gained increasing attention because of their low-cost and reliable technology. In this study, nanocomposite polymer electrolytes based on polyethylene oxide (PEO)₈ and magnesium oxide (MgO) nanoparticles doped <span><math><mrow><msub><mrow><mo>(</mo><mtext>PEO</mtext><mo>)</mo></mrow><mn>8</mn></msub></mrow></math></span>-MgO-<span><math><mrow><msub><mrow><mo>(</mo><mtext>PEO</mtext><mo>)</mo></mrow><mn>8</mn></msub></mrow></math></span> were investigated using Gaussian 09 software with Gauss View 6.0 to explore the system's structural, electronic, and electrochemical properties. The density functional approach has been utilized with the B3LYP method and 6-31G basis set to optimize the structures and obtain their properties such as XRD, UV–vis-nir, IR, Raman, NMR, Mulliken charge analysis, and Molecular electrostatic potential. The band gap of pure PEO, calculated using the HOMO-LUMO energy gap, was found to be 6.28 eV, indicating insulating properties. Upon the addition of MgO nanoparticles, the band gap of <span><math><mrow><msub><mrow><mo>(</mo><mtext>PEO</mtext><mo>)</mo></mrow><mn>8</mn></msub></mrow></math></span>-MgO-<span><math><mrow><msub><mrow><mo>(</mo><mtext>PEO</mtext><mo>)</mo></mrow><mn>8</mn></msub></mrow></math></span> decreased to 4.96 eV, suggesting slightly high electronic conductivity. Molecular electrostatic potential (MEP) mapping demonstrated a uniform charge density distribution in <span><math><mrow><msub><mrow><mo>(</mo><mtext>PEO</mtext><mo>)</mo></mrow><mn>8</mn></msub></mrow></math></span>-MgO-<span><math><mrow><msub><mrow><mo>(</mo><mtext>PEO</mtext><mo>)</mo></mrow><mn>8</mn></msub></mrow></math></span>, highlighting favorable sites for ionic interactions. Mulliken population analysis showed an increase in electron density on the polymer backbone, confirming the Lewis base behavior of PEO in the nanocomposite polymer electrolytes system. The results from DFT calculations, combined with insights into structural and electrochemical behavior, explore the potential of <span><math><mrow><msub><mrow><mo>(</mo><mtext>PEO</mtext><mo>)</mo></mrow><mn>8</mn></msub></mrow></math></span>-MgO-<span><math><mrow><msub><mrow><mo>(</mo><mtext>PEO</mtext><mo>)</mo></mrow><mn>8</mn></msub></mrow></math></span> nanocomposites as efficient solid-state polymer electrolytes. This study provides a theoretical foundation for designing advanced polymer-based materials for next-generation energy storage devices.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"203 ","pages":"Article 112706"},"PeriodicalIF":4.3,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143681497","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":"First-principles calculations to investigate structural, mechanical, electronic, transport and thermoelectric properties of XTiPd(X=Si, Ge, Sn, Pb) Half Heusler alloys","authors":"Athira Mohan,&nbsp;Rita John","doi":"10.1016/j.jpcs.2025.112685","DOIUrl":"10.1016/j.jpcs.2025.112685","url":null,"abstract":"<div><div>The half heusler alloys PdTiX(X= Si Ge, Sn, Pb) focused on their structural, electronic, thermal and thermoelectric properties are investigated by employing first-principles DFT calculations and Boltzmann transport theory. All the concerned materials are observed to be stabilized in its <span><math><mi>α</mi></math></span>-structural phase(XTiPd) with indirect band-gap. The interplay of partially filled 3d valence electrons of Ti in their localized and hybridized state for determining their stable structural phase and electronic properties is studied in detail. It is found that as X in XTiPd gets substituted in the increasing order of their atomic mass, the band-gap, formation energy, and overall thermal conductivity are reduced considerably. In comparison with other half heusler alloys these materials are obtained with high Seebeck coefficient and moderate electrical and thermal conductivities leading to high figure of merit. Out of all the materials investigated in the present work, SiTiPd is observed with more widened band gap of 0.78 eV and high lattice thermal conductivity of <span><math><msub><mrow><mi>κ</mi></mrow><mrow><mi>L</mi></mrow></msub></math></span>= 27.68 W/m.K whereas PbTiPd has a lowest band gap of 0.38 eV and lowest <span><math><msub><mrow><mi>κ</mi></mrow><mrow><mi>L</mi></mrow></msub></math></span>= 7.64 W/m.K at 300 K. The relaxation time(<span><math><mi>τ</mi></math></span>) is calculated in the range of <span><math><mrow><mn>1</mn><msup><mrow><mn>0</mn></mrow><mrow><mo>−</mo><mn>13</mn></mrow></msup><mo>−</mo></mrow></math></span> <span><math><mrow><mn>1</mn><msup><mrow><mn>0</mn></mrow><mrow><mo>−</mo><mn>14</mn></mrow></msup></mrow></math></span> s for all XTiPd using Bardeen and Shockley’s deformation potential approximation method. High throughput DFT calculations are performed to extract the accurate thermoelectric efficiency of chosen alloys in terms of figure of merit(<span><math><mrow><mi>z</mi><mi>T</mi></mrow></math></span>). An enhanced thermoelectric efficiency of <span><math><mrow><mi>z</mi><mi>T</mi></mrow></math></span>=1.4 for SnTiPd at 1200 K, <span><math><mrow><mi>z</mi><mi>T</mi></mrow></math></span>= 1.25 for PbTiPd at 1000 K and <span><math><mrow><mi>z</mi><mi>T</mi><mo>=</mo><mn>1</mn></mrow></math></span> for XTiPd(X= Si, Ge) at 1200 K are obtained using these throughput calculations. The present study affirms that all the half heusler materials XTiPd(X = Si, Ge, Sn,Pb) can be harnessed as the potential candidates for thermoelectric applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"202 ","pages":"Article 112685"},"PeriodicalIF":4.3,"publicationDate":"2025-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143632111","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":"Comparison of microwave absorption performance under solid and hollow structures of ferroferric oxide nanospheres","authors":"Peng He ,&nbsp;Qingqing Zhou ,&nbsp;Zhuo Chen ,&nbsp;Yueyue Wang ,&nbsp;Qi Liu ,&nbsp;Yong Li ,&nbsp;Feng Tao ,&nbsp;Wei Wang","doi":"10.1016/j.jpcs.2025.112703","DOIUrl":"10.1016/j.jpcs.2025.112703","url":null,"abstract":"<div><div>Ferroferric oxide (Fe₃O₄), as the most widely studied and applied microwave absorption (MA) material, has important scientific and engineering value in studying the influence of its solid and hollow structures on its MA performance. Previous studies have mostly focused on the study of Fe₃O₄ at different scales, making it difficult to compare the effects of hollow and solid structures on MA performance. In this work, we prepared two types of Fe₃O₄ nanoparticles, solid and hollow, with the same radial size. At the same content, hollow Fe₃O₄ (H–Fe₃O₄) nanospheres exhibits superior MA performance. Essentially, the composite with 70 wt% H–Fe₃O₄ shows the best MA performance with the minimum reflection loss (RL_min) of −64.2 dB at 2.75 mm, and the corresponding bandwidth is 3 GHz. Such excellent MA performance is due to the hollow structure causing microwave attenuation enhancement. The research on MA loss mainly comes from polarization, natural ferromagnetic resonance and exchange resonance. The radar cross section (RCS) simulation results indicates that H–Fe₃O₄ has significant advantages in stealth protection.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"203 ","pages":"Article 112703"},"PeriodicalIF":4.3,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143697820","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":"Strong influence of fully quartic anharmonicity on thermoelectric properties of Li3X (X= Sb, Bi) compounds: A first principle study","authors":"Lijun Ni ,&nbsp;Yinchang Zhao ,&nbsp;Yue Wang ,&nbsp;Xuhao Song ,&nbsp;Weisong Li ,&nbsp;Zhendong Chen ,&nbsp;Zhenhong Dai","doi":"10.1016/j.jpcs.2025.112697","DOIUrl":"10.1016/j.jpcs.2025.112697","url":null,"abstract":"<div><div>In this work, the thermal transport and thermoelectric properties of Li₃X (X = Sb, Bi) have been systematically investigated by utilizing first-principles calculations combined with self-consistent phonon theory and Boltzmann transport equations. The fully quartic anharmonicity of Li₃X is considered in the lattice thermal conductivity (<em>κ</em>_L) calculation, which encompasses temperature-driven phonon frequency shift and four-phonon (4ph) scattering. Our results indicate that fully quartic anharmonicity plays a crucial role in accurately determining the <em>κ</em>_L and the figure of merit (<em>ZT</em>). The acoustic phonon group velocity (<em>υ</em>_ph) is enhanced due to the quartic anharmonic renormalization. The three-phonon (3ph) scattering is suppressed and an additional 4ph scattering can be introduced by self-consistent phonon theory combined with 3ph and 4ph scatterings. The phonon lifetime (<em>τ</em>) ultimately exhibits negligible variation. The relatively rational <em>κ</em>_L value of 1.18 and 0.94 W/(mK) are obtained at 900 K for Li₃Sb and Li₃Bi crystals, respectively. Meanwhile, the coexistence of the large dispersion and high degeneracy in the electronic structure capture a big power factor. Thus, we obtain high <em>ZT</em> peak values of 1.56 and 2.25 for the <em>p</em>-type Li₃Sb and Li₃Bi materials at 900 K, respectively. The superior value 2.25 exceeding 2 indicates the great potential of <em>p</em>-type Li₃Bi in thermoelectric applications. These findings help us to well understand the microcosmic mechanism of thermoelectric properties in Li₃X, and give useful insights into the role of the fully quartic anharmonicity for thermoelectric properties of Li₃X.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"203 ","pages":"Article 112697"},"PeriodicalIF":4.3,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143681496","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":"Radiation-induced photoluminescence enhancement of zinc oxide and zinc oxide- polyvinyl alcohol nanocomposite: A green and controllable approach for tailor-made optoelectronics","authors":"Cosimo Ricci ,&nbsp;Elvira Maria Bauer ,&nbsp;Isabelle Lampre ,&nbsp;Christophe Humbert ,&nbsp;Hynd Remita ,&nbsp;Marilena Carbone","doi":"10.1016/j.jpcs.2025.112704","DOIUrl":"10.1016/j.jpcs.2025.112704","url":null,"abstract":"<div><div>The structural and optical properties of gamma-ray-irradiated ZnO and ZnO-PVA nanocomposites, synthesized via a one-pot method, were investigated. The samples were analyzed before and after irradiation at doses up to 26 kGy using UV–Vis spectroscopy, photoluminescence spectroscopy, scanning electron microscopy, transmission electron microscopy, X-ray diffraction, Fourier transform infrared spectroscopy, and surface frequency generation spectroscopy. X-ray diffraction confirmed the hexagonal wurtzite structure of ZnO, while electron microscopy revealed the embedment of 40 nm ZnO nanoparticles into the PVA matrix. Shifts and decreased ratio of the CH₂–CH₂ FT-IR vibrations at 1420 cm⁻¹ and combined CH₂–CH₂/CH₂–O–CH₂ stretching at 1143 cm⁻¹ indicated not only polymer matrix dislocation resulting from incorporation of ZnO nanoparticles in the PVA matrix but also cross-linking of the polymer chains upon irradiation. Surface frequency generation spectroscopy further confirmed PVA adherence and bonding to ZnO surfaces. Photoluminescence studies revealed significant changes in the energy and intensity of the near-band-edge emission of irradiated ZnO nanoparticles attributed to the annealing of surface defects. UV–Vis spectroscopy of ZnO-PVA showed a dose-dependent absorption increase at 280 nm, suggesting polymer cross-linking. Additionally, the intensity of the blue photoluminescent peak located around 445 nm increased with irradiation dose indicating dose-dependent enhancement of ZnO-PVA bonding. These findings demonstrate that gamma-ray irradiation effectively modifies the optical and surface properties of ZnO-based materials, enhancing their performance for applications in flexible optoelectronics, light-emitting devices, and environmental sensors. The ability to precisely control material properties through irradiation offers new opportunities for developing advanced functional materials with improved performance and sustainability.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"202 ","pages":"Article 112704"},"PeriodicalIF":4.3,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143642964","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":"Na2ZnH6: A 53K conventional superconductor near ambient pressure","authors":"Manish Kumar,&nbsp;Finley Marak,&nbsp;Jagdish Kumar","doi":"10.1016/j.jpcs.2025.112702","DOIUrl":"10.1016/j.jpcs.2025.112702","url":null,"abstract":"<div><div>Ternary hydride Na₂ZnH₆ has been studied by employing density functional theory calculations. Our results find that Na₂ZnH₆ is dynamically stable but mechanically unstable at ambient pressure and exhibits strong electron-phonon coupling with <span><math><mrow><mi>λ</mi><mo>=</mo><mn>2.42</mn></mrow></math></span>. However, above 2.5 GPa pressure the crystal is mechanically as well as dynamically stable and exhibit strong electron-phonon coupling leading to significantly high <em>T</em>_<em>c</em> of ∼39K. The crystal is dynamically stable up to the isotropic pressure of 30 GPa. With increase in pressure, the electron-phonon coupling constant <span><math><mrow><mi>λ</mi></mrow></math></span> and electronic density of states at Fermi level, <em>N(E</em>_<em>F</em><em>)</em>, decreases monotonously. But due to the <em>anomalous</em> trend in <span><math><mrow><msub><mi>ω</mi><mi>log</mi></msub></mrow></math></span>, the transition temperature, <em>T</em>_<em>c,</em> increases to a maximum of ∼53K at 5 GPa, followed by a drop to a minimum of ∼19K at 10 GPa. The T_c increases further till the pressure of 30 GPa and attains a maximum value of 58K. At 40 GPa and above, Na₂ZnH₆ becomes dynamically unstable and exhibits imaginary phonon frequencies. Our investigations offer an important input to experimentalists to investigate this new ternary hydride having reasonably high T_c near ambient pressure.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"202 ","pages":"Article 112702"},"PeriodicalIF":4.3,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143642960","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":"Co-sputtering deposition of HfO2 thin films: Insights into Cu and Ag doping effects","authors":"Abdullah Akkaya ,&nbsp;Osman Kahveci ,&nbsp;Sedanur Güler ,&nbsp;Enise Ayyıldız","doi":"10.1016/j.jpcs.2025.112686","DOIUrl":"10.1016/j.jpcs.2025.112686","url":null,"abstract":"<div><div>This study comprehensively examines the structural, electrical, and electrochemical properties of Cu- and Ag-doped HfO₂ thin films deposited via the co-sputtering method. The dopant concentrations were precisely controlled by varying the DC magnetron sputtering power, allowing a systematic evaluation of their impact on film characteristics. Structural analysis revealed that the monoclinic phase of HfO₂ was retained, with minor crystallographic changes attributable to the dopants. Also, confirmed the successful incorporation of dopant ions, revealing variations in spin-orbital splitting values due to differences in ionic radii and electronic configurations. Morphological studies demonstrated that Ag doping reduced surface roughness and enhanced uniformity, whereas Cu doping increased roughness, resulting in a more irregular morphology.</div><div>TLM analysis highlighted improved conductivity in doped films, although the effect was limited by the oxidation states of dopants and the presence of oxygen vacancies. Electrochemical investigations through potentiodynamic polarization analysis revealed that Ag doping significantly improved corrosion resistance in alkaline environments, while Cu doping had the opposite effect, reducing corrosion resistance due to increased porosity and morphological irregularities. The results underscore the contrasting roles of Cu and Ag doping in modulating the functional properties of HfO₂ thin films, offering insights into their potential for applications in advanced electronic devices, resistive switching memory, and energy storage systems.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"202 ","pages":"Article 112686"},"PeriodicalIF":4.3,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143643449","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":"Nanoarchitectonics with highly porous, thick, stable anodic films on 304 stainless steel for high- performance supercapacitors","authors":"Xuanhe Wang ,&nbsp;Tao Feng ,&nbsp;Gang Li ,&nbsp;Yingge Wang ,&nbsp;Xuyuan Chen ,&nbsp;Kaiying Wang","doi":"10.1016/j.jpcs.2025.112690","DOIUrl":"10.1016/j.jpcs.2025.112690","url":null,"abstract":"<div><div>The nanoporous oxide layer formed on stainless steel (SS) foils through constant current anodization typically faces the challenge of partial detachment of the anodic film during prolonged anodization, which limits the significant increase in film thickness and thus restricts its specific surface area capacitance. In this study, we propose a method to prepare ultra-thick nanoporous oxide films through long-term constant voltage anodization, effectively mitigating the detachment effect. By adjusting the anodization voltage, the porosity, thickness, and conductivity of the oxide film can be precisely controlled. Specifically, the oxide film with a thickness of 26.9 μm shows a high porosity and low conductivity at 50 V. As the voltage increases to 75 V, the oxide exhibits a thicker thickness (32.2 μm), and the porosity decreases. Both oxide films exhibit a gradient distribution of pore size along the thickness direction, contributing to more stable contact between the anodic film and the substrate. The thinner oxide film achieves a record-breaking area capacitance value of 215 mF cm⁻² at 1 mA cm⁻². The stable anodic film, with its tunable porosity, thickness, and conductivity, has great potential for applications in high-performance supercapacitors based on stainless steel foils.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"202 ","pages":"Article 112690"},"PeriodicalIF":4.3,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143627961","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":"Impact of diamond nanoparticles on the dielectric and electro-optical properties of nematic liquid crystal","authors":"Sadhna Tiwari,&nbsp;Saransh Saxena,&nbsp;Shivangi Tripathi,&nbsp;Sonam Sharma,&nbsp;Garima Shukla,&nbsp;Rajiv Manohar","doi":"10.1016/j.jpcs.2025.112696","DOIUrl":"10.1016/j.jpcs.2025.112696","url":null,"abstract":"<div><div>The study investigates the influence of diamond nanoparticles (DNPs) on the electro-optical and dielectric properties of nematic liquid crystal (NLC) ZLI-2976. DNPs were dispersed in varying concentrations (0.1 wt%, 0.3 wt%, and 0.5 wt%) to explore their impact on key parameters such as threshold voltage, dielectric anisotropy, and response time. The results revealed that DNPs significantly reduce the threshold voltage by up to 22 %, particularly at higher concentrations, while enhancing dielectric anisotropy and optimizing response time. Polarizing optical microscopy (POM) confirmed uniform nanoparticle dispersion, and dielectric spectroscopy highlighted concentration-dependent permittivity variations, with DNP-NLC interactions dominating at lower concentrations and DNP-DNP interactions influencing higher concentrations. These findings demonstrate the potential of DNP-doped NLCs for advanced liquid crystal device applications, offering improved performance in terms of reduced operating voltage, enhanced electro-optical response, and optimized switching dynamics.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"203 ","pages":"Article 112696"},"PeriodicalIF":4.3,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143681499","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":"Engineering iron–nickel nanostructures on the surface of functionalized nitrogen-doped graphene composite for high-performance supercapacitors","authors":"Masoud Amiri ,&nbsp;Farhad Golmohammadi ,&nbsp;Ali Ebrahimi Pure ,&nbsp;Meysam Safari ,&nbsp;Muhamed Aydin Abbas","doi":"10.1016/j.jpcs.2025.112699","DOIUrl":"10.1016/j.jpcs.2025.112699","url":null,"abstract":"<div><div>This study presents the development of a novel three-dimensional nitrogen-doped graphene/iron-nickel (3DNG/FeNi) composite as a high-performance electrode material for supercapacitors. The composite was synthesized using a simple sol-gel method followed by pyrolysis, exhibiting excellent electrochemical properties. The 3D nitrogen-doped graphene scaffold (3DNG), synthesized with azodicarbonamide as a nitrogen source and a porosity enhancer, provides a highly porous and conductive framework for Fe–Ni nanoparticle integration. The synergistic interaction of 3DNG and Fe–Ni nanoparticles enhanced the overall electrochemical performance, including high specific capacitance, excellent rate capability and superior cycling stability. The as-prepared asymmetric supercapacitor device that utilizes the 3DNG/NiFe composite as the positive electrode and commercial Vulcan carbon as the negative electrode, demonstrates an impressive energy density of 35.4 Wh kg⁻¹ and a power density of 14 kW kg⁻¹. These results highlight the potential of the 3DNG/NiFe composite as a promising electrode material for advanced energy storage devices.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"202 ","pages":"Article 112699"},"PeriodicalIF":4.3,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143632110","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}