Journal of Physics and Chemistry of Solids最新文献_第6页

Advances in graphene-based composite materials for lithium-ion battery electrodes: A critical review 锂离子电池电极用石墨烯基复合材料的研究进展

IF 4.9 3区材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of Physics and Chemistry of Solids

Pub Date : 2026-01-09 DOI: 10.1016/j.jpcs.2026.113530

Arooj Fatima , Sami Ullah , Ali Ali-zada , Aziz ur Rehman , Ibrahim A. Shaaban , Md Mahbubur Rahman , Iqra Razzaq , Muhammad Arshad , Syed Shoaib Ahmad Shah , Muhammad Altaf Nazir

Remarkable durability in combination with electrical conductivity, as well as large surface area, makes graphene and its composites an appealing prospect as Lithium-ion battery electrode material (LIBs). With specific emphasis on graphene composites with layered double hydroxide (LDH), metal-organic frameworks (MOFs), Silicon (Si), and metal oxides (MO), this paper presents the advances in graphene-based composites in Li-ion batteries. This review article specifically focused on the various synthesis methods of graphene and its composites with LDH, MOF, Si and metal oxides. As lithium-ion batteries continue to face limitations in charge storage, power performance, and long-term stability, there remains a strong need for further advancement. This article explores the potential of incorporating graphene-based composite materials into lithium-ion battery electrode as a promising strategy to address these challenges. In conclusion, this study provides a comprehensive summary of performance of various graphene based composites, current challenges and recommendations for future research in LIBs.

卓越的耐用性、导电性和大表面积，使石墨烯及其复合材料成为锂离子电池电极材料（lib）的诱人前景。本文重点介绍了石墨烯基复合材料在锂离子电池中的应用进展，包括层状双氢氧化物（LDH）、金属有机骨架（MOFs）、硅（Si）和金属氧化物（MO）。本文重点介绍了石墨烯及其与LDH、MOF、Si和金属氧化物复合材料的各种合成方法。由于锂离子电池在电荷存储、功率性能和长期稳定性方面仍然面临限制，因此仍有进一步发展的强烈需求。本文探讨了将石墨烯基复合材料结合到锂离子电池电极中的潜力，作为解决这些挑战的有希望的策略。总之，本研究全面总结了各种石墨烯基复合材料的性能，当前的挑战和对lib未来研究的建议。

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引用次数: 0

Hybrid PVDF-MoS2 architectures for flexible solid-state supercapacitors with superior charge storage properties 具有优异电荷存储性能的柔性固态超级电容器的混合PVDF-MoS2架构

IF 4.9 3区材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of Physics and Chemistry of Solids

Pub Date : 2026-01-09 DOI: 10.1016/j.jpcs.2026.113527

Rakesh Nanna , Jitesh Pani , Ranjit Kumar , Hitesh Borkar

With the combination of high-power performance, mechanical flexibility, and fast charge–discharge kinetics positions flexible solid-state supercapacitors as promising next-generation energy storage devices. In this work, the fabrication of freestanding PVDF–MoS₂ composite films via a scalable sonication-assisted solution casting method. Embedding exfoliated MoS₂ nanosheets within the PVDF matrix facilitates β-phase crystallization and strengthens interfacial polarisation, thereby enhancing electrochemical performance. The optimised PVDF–MoS₂ (80:20, PM82) electrode delivers an areal capacitance of 218.03 F/cm² at 10 mV/s, an energy density of 16.15 mWh/cm², and a power density of 218.55 mW/cm² at 0.22 mA/cm². The device retains 54.31 % capacitance after 1000 cycles after initial value. Density functional theory analysis reveals a reduction in the HOMO–LUMO gap from 6.96 eV (PVDF) to 3.48 eV (PVDF–MoS₂), confirming enhanced charge transfer. PVDF–MoS₂ composites are validated by these findings as viable materials for next-generation flexible energy storage systems.

凭借高功率性能，机械灵活性和快速充放电动力学的结合，柔性固态超级电容器成为有前途的下一代储能设备。在这项工作中，通过可扩展的超声辅助溶液铸造方法制备独立式PVDF-MoS2复合薄膜。将脱落的二硫化钼纳米片嵌入PVDF基体中，有利于β相结晶，增强界面极化，从而提高电化学性能。优化后的PVDF-MoS2 （80:20, PM82）电极在10 mV/s时的面电容为218.03 F/cm2，能量密度为16.15 mWh/cm2，在0.22 mA/cm2时的功率密度为218.55 mW/cm2。该器件在初始值后1000次循环后保持54.31%的电容。密度泛函理论分析表明，HOMO-LUMO的间隙从6.96 eV （PVDF）减小到3.48 eV (PVDF - mos2)，证实了电荷转移的增强。这些发现验证了PVDF-MoS2复合材料是下一代柔性储能系统的可行材料。

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引用次数: 0

Silica nanoparticles impact on sodium ion conducting PEO-PVDF electrolyte: Electrical, dielectric response and ion transport properties 二氧化硅纳米颗粒对钠离子导电PEO-PVDF电解质的影响：电学、介电响应和离子输运性质

IF 4.9 3区材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of Physics and Chemistry of Solids

Pub Date : 2026-01-08 DOI: 10.1016/j.jpcs.2026.113529

Venkata Ramana Jeedi , Kiran Kumar Ganta , Mechiri Sandeep Kumar , Nagam Keerthana , Shikari Pallavi , Nandam Hanusritha , Sameera Kokkiligadda , Rayudu Katuri

Solution casting method was used to prepare SiO₂ nanocomposite polymer electrolytes with poly-ethylene oxide, poly-vinylidene fluoride and NaClO₄ salt. Different weight percentages of SiO₂ was dispersed to optimize the ionic conductivity. Characterizations were carried out to analyze the average particle size, surface morphology, and functional groups respectively. Electric modulus, dielectric, and electrical response were investigated using impedance analyser. Wagner's polarization method was emphasized and the best ion transport number was observed for 3 wt% SiO₂. Impedance spectroscopy was utilized to study the electrical and dielectric response. Ion concentration, diffusion coefficient & mobility of target samples were calculated. Incorporating the silica nanoparticles led to a significant improvement in ionic conductivity and maximum (0.1496 x 10 ⁻³ S/cm) was observed. The frequency independent conductivity has been seen up to 10⁵ Hz with addition of nanoparticles. The rise in conductivity and increase in plateau of frequency independence by the nanofiller could be due to creation of new ion conducting free paths and increased amorphous nature confirmed by XRD and SEM analysis.

采用溶液浇铸法制备了聚环氧乙烷、聚偏氟乙烯和氯化钠盐组成的SiO2纳米复合聚合物电解质。分散不同重量百分比的SiO2以优化离子电导率。表征分别分析了平均粒径、表面形貌和官能团。利用阻抗分析仪对电模量、介电和电响应进行了研究。强调了Wagner极化法，在SiO2浓度为3wt %时观察到最佳离子输运数。阻抗谱用于研究电和介电响应。计算了目标样品的离子浓度、扩散系数和迁移率。加入二氧化硅纳米颗粒导致离子电导率显著提高，并观察到最大（0.1496 x 10−3 S/cm）。与频率无关的电导率在加入纳米粒子后高达105 Hz。通过XRD和SEM分析证实，纳米填料的电导率和频率无关平台的增加可能是由于产生了新的离子导电自由路径和增加的非晶性质。

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引用次数: 0

Influence of oxygen-defects on intraband terahertz conductivity of carbon nanotubes 氧缺陷对碳纳米管带内太赫兹电导率的影响

IF 4.9 3区材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of Physics and Chemistry of Solids

Pub Date : 2026-01-06 DOI: 10.1016/j.jpcs.2025.113509

Maksim I. Paukov , Shuang Sun , Dmitry V. Krasnikov , Arina V. Radivon , Emil O. Chiglintsev , Stanislav Colar , Kirill A. Brekhov , Gennady A. Komandin , Andrey A. Vyshnevyy , Kirill I. Zaytsev , Sergei V. Garnov , Nadzeya I. Valynets , Albert G. Nasibulin , Aleksey V. Arsenin , Valentyn Volkov , Alexander I. Chernov , Yan Zhang , Maria G. Burdanova

The exceptional charge transport properties of single-walled carbon nanotubes (SWCNTs) enable numerous ultrafast optoelectronic applications. Modifying SWCNTs by introducing defects significantly impacts the performance of nanotube-based devices, making defect characterization crucial. This research tracked these effects in oxygen plasma-treated SWCNT thin films. Sub-picosecond electric fields of varying strengths and additional photoexcitation were used to assess how defects influence charge carrier transport. Changes in effective conductance within the terahertz (THz) range were found to be strongly dependent on impurity levels. The plasmon resonance shift to higher THz frequencies aligns with the defect-induced reduction in conductance and slowed carrier migration within the network. An increase in THz field strength resulted in diminished conductance due to intraband absorption bleaching. To address the emergence of hot charge carriers, a modified Drude model, which considers non-equilibrium charge carrier distribution via field-dependent scattering rates, was applied. The dominant charge-impurity scattering rate in plasma-treated samples corresponded with an increase in defects. Additionally, the impact of defects on charge carrier dynamics on a picosecond timescale was examined. The modeled plasma-treated SWCNTs wire-grid polarizer for the THz range reveals the potential for multi-level engineering of THz devices to customize properties through controlled defect populations.

单壁碳纳米管（SWCNTs）独特的电荷传输特性使许多超快光电应用成为可能。通过引入缺陷来修饰SWCNTs会显著影响基于纳米管的器件的性能，因此缺陷表征至关重要。本研究在氧等离子体处理的swcnts薄膜中追踪了这些效应。利用不同强度的亚皮秒电场和附加光激发来评估缺陷对载流子输运的影响。在太赫兹（THz）范围内有效电导的变化被发现强烈依赖于杂质水平。等离子体共振转移到更高的太赫兹频率与缺陷引起的电导降低和网络内载流子迁移减慢一致。由于带内吸收漂白，太赫兹场强的增加导致电导率降低。为了解决热载流子的出现，采用了一种改进的Drude模型，该模型通过场相关散射率考虑了非平衡载流子分布。等离子体处理样品的主要电荷杂质散射率与缺陷的增加相对应。此外，在皮秒时间尺度上研究了缺陷对载流子动力学的影响。模拟的等离子体处理的SWCNTs线栅太赫兹偏振器揭示了太赫兹器件多层次工程的潜力，可以通过控制缺陷数量来定制特性。

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引用次数: 0

Thermoluminescence, electron paramagnetic resonance, and structural characterization of natural prehnite for high-dose radiation dosimetry 热释光，电子顺磁共振，以及用于高剂量辐射剂量测定的天然前驱石的结构表征

IF 4.9 3区材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of Physics and Chemistry of Solids

Pub Date : 2026-01-06 DOI: 10.1016/j.jpcs.2026.113519

Monise B. Gomes , Carlos D. Gonzales-Lorenzo , René R. Rocca , F.N. Ramirez , Edy E. Cuevas-Arizaca , Betzabel N. Silva-Carrera , T.K. Gundu Rao , Nilo F. Cano , Jose F.D. Chubaci

Natural prehnite was evaluated as a thermoluminescence (TL) material for high-dose dosimetry. XRF identified SiO₂, Al₂O₃, and CaO as major constituents. Prehnite samples annealed between 200 and 800 °C (1 h) were examined by XRD and Rietveld analysis, confirming prehnite as the majority phase and revealing calcite and vaterite after heating. The 600 °C sample provided the highest TL yield and was selected for detailed study. Fading tests showed a ∼40 % loss in the 240/350 °C peaks over 5.42 days (130 h), followed by signal stability. Dose–response demonstrated, for the 245 peak and 325 °C, a linear region in the 0.1–2 kGy and 0.5–20 kGy range, respectively, with saturation occurring between 30 and 100 kGy. Kinetic parameters were obtained using TM-Tstop, initial-rise, and variable-heating-rate methods; glow-curve deconvolution resolved five TL components. TL spectra display an intense band near 530 nm and a weak 550 nm band, suggesting two main recombination centers.

研究了天然前石作为热释光（TL）材料在高剂量剂量学中的应用。XRF鉴定SiO2， Al2O3和CaO为主要成分。在200 ~ 800℃（1 h）退火的预晶石样品通过XRD和Rietveld分析，证实了预晶石为主要相，加热后显示方解石和水晶石。600°C的样品提供了最高的TL收率，并被选中进行详细的研究。衰落测试显示，在240/350°C的峰值中，在5.42天（130小时）内损耗约40%，随后信号稳定。剂量响应表明，245峰和325°C分别在0.1-2 kGy和0.5-20 kGy范围内呈线性区域，饱和发生在30 - 100 kGy之间。采用TM-Tstop法、初升法和变升温速率法获得动力学参数；发光曲线反褶积分解了5个TL分量。红外光谱显示530 nm附近有一个强波段，550 nm附近有一个弱波段，表明两个主要的复合中心。

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引用次数: 0

Synthesis of a magnetically heatable ceria–supported ruthenium catalyst via deposition of nanocrystalline ceria on silica-coated magnetic iron–oxide nanoparticles 通过在二氧化硅包覆的磁性氧化铁纳米颗粒上沉积纳米晶二氧化铈合成一种磁性可加热二氧化铈负载钌催化剂

IF 4.9 3区材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of Physics and Chemistry of Solids

Pub Date : 2026-01-06 DOI: 10.1016/j.jpcs.2026.113517

Nina Križaj Kosi , Jakov-Stjepan Pavelić , Miha Grilc , Sašo Gyergyek , Darko Makovec

We report the synthesis of a ceria-based catalyst support containing embedded magnetic iron–oxide nanoparticles (IONPs) that enable heating under a high-frequency alternating magnetic field. The ≈11 nm IONPs, synthesized by co-precipitation of Fe²⁺/Fe³⁺ ions at room temperature, were coarsened to ≈18 nm through subsequent hydrothermal treatment at 120 °C and then coated with a ≈2 nm silica layer. The catalyst support was prepared by depositing nanocrystalline ceria (CeO₂) onto the IONPs via controlled precipitation of Ce³⁺ ions in the presence of hexamethylenetetramine (HMTA) in aqueous suspension. When deposited directly on the iron oxide, ceria formed small agglomerates of ≈10 nm octahedral nanocrystallites, whereas deposition on silica-coated IONPs produced a homogeneous 3–6 nm-thick shell composed of ≈3 nm globular crystallites. Special attention was given to elucidating the mechanism of shell formation. The magnetic catalyst was obtained by precipitating Ru nanoparticles (1–2 nm) onto the ceria support. Morpho-structural characterization was performed by XRD, TEM, and aberration-corrected STEM. Static and dynamic magnetization measurements at room temperature were used to assess the magnetic and heating performance. At low field amplitudes (<15 mT), catalysts prepared with IONPs of both sizes exhibited similar specific absorption rates, whereas at higher amplitudes the larger IONPs demonstrated superior heating efficiency. The catalytic performance was demonstrated in the magnetically heated hydrogenation of the bio-based compound 5-(hydroxymethyl)furfural to 2,5-bis(hydroxymethyl)furan, showing high activity, 100 % selectivity, and excellent stability upon recycling.

我们报道了一种含有嵌入磁性氧化铁纳米颗粒（IONPs）的二氧化铈基催化剂载体的合成，该载体能够在高频交变磁场下加热。在室温下由Fe2+/Fe3+离子共沉淀法合成的≈11 nm的IONPs，在120℃下进行后续水热处理，粗化至≈18 nm，然后包覆一层≈2 nm的二氧化硅层。在六亚甲基四胺（HMTA）存在的水悬浮液中，通过Ce3+离子的可控沉淀，将纳米晶铈（CeO2）沉积在离子载体上，制备催化剂载体。当直接沉积在氧化铁上时，二氧化铈形成了≈10 nm的八面体纳米晶体的小团块，而沉积在二氧化硅涂层的IONPs上则形成了3 - 6 nm厚的均匀壳，由≈3 nm的球状晶体组成。特别注意阐明了壳的形成机理。通过在氧化铈载体上沉淀1 ~ 2nm的Ru纳米颗粒得到磁性催化剂。通过XRD， TEM和像差校正的STEM进行了形态结构表征。在室温下，采用静态和动态磁化测量来评估磁性和加热性能。在低场振幅（15 mT）下，两种尺寸的离子粒子制备的催化剂表现出相似的比吸收率，而在高场振幅下，较大的离子粒子表现出优越的加热效率。在生物基化合物5-（羟甲基）糠醛磁加热加氢制备2,5-双（羟甲基）呋喃的催化性能中，该催化剂表现出高活性、100%选择性和优良的循环稳定性。

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引用次数: 0

Comparative analysis of Au20 clusters with M doping (M = Cr, Mn, or Fe) in an external electric field for solar cells 太阳能电池外电场中掺杂M （M = Cr， Mn或Fe）的Au20簇的比较分析

IF 4.9 3区材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of Physics and Chemistry of Solids

Pub Date : 2026-01-03 DOI: 10.1016/j.jpcs.2026.113516

Yanqiu Ma , Liukun Li , Wenli Xie , Kangning Li , Chuanlu Yang

In this study, we examined the effects of an external electric field (OEEF) on the structural, electronic, and optical properties of Au₂₀ and Au₁₉M (M = Cr, Mn, or Fe) clusters. The results indicated that an EEF considerably enhances the structural stability of these clusters and effectively improves their electronic properties. An EEF also markedly increases the electron affinity of Au₂₀ clusters, leading to the manifestation of superhalogen characteristics; this result suggests an innovative strategy for constructing superhalogens. When an EEF is applied, charge redistribution occurs in Au₂₀ and Au₁₉M (M = Cr, Mn, or Fe) clusters, a phenomenon that may induce the formation of new reactive sites and thereby enhance the clusters’ overall reactivity. By studying the polarization effects of an EEF on Au₂₀ and Au₁₉M (M = Cr, Mn, or Fe) clusters, we discovered that Cr doping greatly enhances the electric field response sensitivity of gold nanoclusters, establishing a theoretical foundation for developing novel electric-field-tunable nanodevices. We also observed that an EEF substantially increases the molar absorption coefficients of these clusters and induces a redshift in their ultraviolet–visible absorption peaks. Notably, an EEF dramatically improves the efficiency with which near-infrared light is absorbed by Au₁₉Cr clusters with Cr doping at a vertex; this finding offers a new perspective for advancing near-infrared solar energy materials.

在这项研究中，我们研究了外电场（OEEF）对Au20和Au19M （M = Cr， Mn或Fe）簇的结构、电子和光学性质的影响。结果表明，EEF显著提高了这些团簇的结构稳定性，并有效地改善了它们的电子性能。EEF也显著提高了Au20团簇的电子亲和力，导致超卤素特征的表现；这一结果提出了一种构建超卤素的创新策略。当施加EEF时，Au20和Au19M （M = Cr， Mn或Fe）团簇中会发生电荷重新分配，这种现象可能会诱导新的反应位点的形成，从而提高团簇的整体反应活性。通过研究EEF对Au20和Au19M （M = Cr， Mn或Fe）团簇的极化效应，我们发现Cr掺杂大大提高了金纳米团簇的电场响应灵敏度，为开发新型电场可调谐纳米器件奠定了理论基础。我们还观察到EEF大大增加了这些团簇的摩尔吸收系数，并在它们的紫外可见吸收峰中引起了红移。值得注意的是，EEF显著提高了顶点掺杂Cr的Au19Cr团簇吸收近红外光的效率；这一发现为推进近红外太阳能材料提供了新的视角。

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引用次数: 0

Molecular extension of APFO-green with electron acceptors as Push-Pull NIR switches for analysis of photovoltaic parameters with Python trained data APFO-green的分子扩展，电子受体作为推挽式近红外开关，用于分析光伏参数与Python训练数据

IF 4.9 3区材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of Physics and Chemistry of Solids

Pub Date : 2026-01-02 DOI: 10.1016/j.jpcs.2026.113515

Mamduh J. Aljaafreh , Sadaf Noreen

A series of new organic dyes are designed by theoretically extending APFO-Green moiety with electron acceptors. The designed dyes exhibit a significant red shift in their absorption spectra, ranging from 578 to 856 nm, compared to the parent moiety (475 nm). The analysis of electronic excitations and charge density difference reveals substantial charge transfer and electron density redistribution. The calculated photovoltaic (PV) parameters, including Light-Harvesting Efficiency (LHE), Open-Circuit Voltage (V_oc), Fill Factor (FF), and Short-Circuit Current Density (J_sc), demonstrate varying performance having value raged of LHE = 12–73 %, V_oc = 0.58–2.19 V, FF = 0.42–0.67, and J_sc = 3.67–13.85 mA/cm². To compare the current results, an analysis of reported organic dyes is conducted from year 2017–2025 by collecting 250 datapoints of reported J_sc, V_oc, and FF values. The comparison of various models shows that Gradient Boosting produces a coefficient determination (R²) of 0.81–0.86 for predicting J_sc, FF, and 0.64 for V_oc. These findings provide understanding into the structural basis of organic dyes and PV performance to development donor-acceptor dyes.

从理论上用电子受体扩展APFO-Green基团，设计了一系列新的有机染料。与母体部分（475 nm）相比，所设计的染料在其吸收光谱中表现出明显的红移，范围从578到856 nm。电子激发和电荷密度差的分析揭示了大量的电荷转移和电子密度重分布。计算得到的光伏（PV）参数，包括光收集效率（LHE）、开路电压（Voc）、填充系数（FF）和短路电流密度（Jsc），表现出不同的性能，LHE = 12 - 73%, Voc = 0.58-2.19 V, FF = 0.42-0.67, Jsc = 3.67-13.85 mA/cm2。为了比较目前的结果，从2017年到2025年，通过收集250个报告的Jsc、Voc和FF值的数据点，对报告的有机染料进行了分析。各种模型的比较表明，梯度增强在预测Jsc、FF和Voc方面的决定系数（R2）为0.81-0.86。这些发现为进一步了解有机染料的结构基础和PV性能提供了依据。

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引用次数: 0

IF 4.9 3区材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of Physics and Chemistry of Solids

Pub Date : 2026-01-01

引用次数: 0

IF 4.9 3区材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of Physics and Chemistry of Solids

Pub Date : 2026-01-01

引用次数: 0