Materials Chemistry and Physics最新文献_第8页

Improving tensile strength of high ductile cement-based composites through UHMWPE fiber modification using varied polyvinylpyrrolidone 不同聚乙烯吡罗烷酮改性超高分子量聚乙烯纤维提高高塑性水泥基复合材料的抗拉强度

IF 4.7 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Chemistry and Physics

Pub Date : 2026-04-01 Epub Date: 2026-01-28 DOI: 10.1016/j.matchemphys.2026.132148

Huibin Cheng , Ziyong Chen , Jiangtao Li , Cong Li , Taozhi Xu , Qingrong Qian , Qinghua Chen , Xuhong Liu , Shenglan Ma , Chen Wu

Ultra-high molecular weight polyethylene (UHMWPE) fibers are extensively utilized in engineered cementitious composites (ECC). However, their inherent hydrophobicity weakens the interfacial bonding with cementitious matrices, which limits further improvement in the uniaxial tensile toughness of ECC. The study involved using polyvinylpyrrolidone (PVP) to modify the surface of the UHMWPE fibers, enhancing the hydrophilicity of the fiber surface and improving fiber/matrix interfacial bonding, thereby further enhancing the tensile performance of the UHMWPE fiber-reinforced ECC (UHMWPE-ECC). The feasibility of varied PVP modification was confirmed by contact angle tests, Raman, and FT-IR spectroscopy. The water contact angle (θ) of PVP modified UHMWPE fibers decreased from 112.3° to 59.1°, converting the fiber surface from hydrophobic to hydrophilic. The effectiveness of this method was evaluated through uniaxial tensile measurement and field-emission scanning electron microscopy (SEM). The resultant UHMWPE-ECC exhibited a 77 % increase in ultimate tensile strength, an 80 % enhancement in ultimate tensile strain, and a remarkable multi-crack characteristic. Analyses of the micromechanical model, Raman and FT-IR results revealed that hydrogen bonding between PVP and hydration products enhanced interfacial friction and chemical adhesion, significantly improving the strain-hardening capacity of the cement-based composites. This study shed light on the impact of selection of PVP molecular weight and varying concentration parameters on the surface characteristics of modified UHMWPE fibers and the tensile performance of ECC, and providing insights into the application and design of high-strength and high ductile UHMWPE-ECC.

超高分子量聚乙烯（UHMWPE）纤维广泛应用于工程胶凝复合材料（ECC）。然而，其固有的疏水性削弱了与胶凝基质的界面结合，限制了ECC单轴拉伸韧性的进一步提高。研究采用聚乙烯吡咯烷酮（PVP）对UHMWPE纤维表面进行改性，增强纤维表面亲水性，改善纤维/基体界面结合，从而进一步提高UHMWPE纤维增强ECC （UHMWPE-ECC）的拉伸性能。通过接触角测试、拉曼光谱和傅里叶变换红外光谱证实了各种PVP改性的可行性。PVP改性UHMWPE纤维的水接触角（θ）由112.3°减小到59.1°，纤维表面由疏水性变为亲水性。通过单轴拉伸测量和场发射扫描电镜（SEM）对该方法的有效性进行了评价。结果表明，UHMWPE-ECC的极限拉伸强度提高了77%，极限拉伸应变提高了80%，并且具有显著的多裂纹特征。微观力学模型分析、拉曼和傅里叶红外光谱结果表明，PVP与水化产物之间的氢键增强了界面摩擦和化学粘附，显著提高了水泥基复合材料的应变硬化能力。本研究揭示了PVP分子量的选择和不同浓度参数对改性UHMWPE纤维表面特性和ECC拉伸性能的影响，为高强高延性UHMWPE-ECC的应用和设计提供参考。

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引用次数: 0

Production and characterization of functional grading aluminum matrix materials by powder metallurgy 粉末冶金功能分级铝基材料的生产与表征

IF 4.7 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Chemistry and Physics

Pub Date : 2026-04-01 Epub Date: 2026-01-21 DOI: 10.1016/j.matchemphys.2026.132089

Musa Yılmaz , Mürsel Ekrem

This study aimed to develop hybrid composite materials made of A7075 aluminum/boron carbide (B₄C) with a hard outer region and a soft inner core, inspired by natural structures such as teeth and bones, to provide high toughness. Production was carried out using the powder metallurgy method, with ball milling times (1, 2, 3 h) and layer configurations (3, 5, 7 layers) in accordance with the functional graded material (FGM) principle. The experiments were designed using the Taguchi method for systematic optimization, and three different compression pressures (300, 400, 500 MPa), sintering times (1, 2, 3 h), and sintering temperatures (550, 570, 590 °C) were investigated. The powders were characterized prior to production using XRD, SEM, and particle size analysis. The performance of the produced composites was evaluated using compressive strength tests in accordance with ASTM E9, as well as hardness and density tests and SEM microstructure analysis.

Data analyzed using the Taguchi method revealed the critical effects of processing parameters on mechanical properties. The highest compressive strength (339.1 MPa) and toughness values were obtained with a 3-h ball milling time and a 3-layer FGM structure, while sintering parameters of 590 °C and 3 h, while 550 °C and 2 h provided the highest hardness (170 HB). In powder characterization, it was observed that as the grinding time increased, the particle size decreased and the B₄C phase was homogeneously distributed, despite the initial agglomeration tendency.

The results and parameter optimizations obtained through Taguchi analysis provide a comprehensive reference for further research. The analyses clearly show that the production recipe changes depending on the targeted property (pressure resistance, hardness, or density). The developed FGM composites can be used in applications such as arm and knee protectors thanks to their high strength and toughness properties, as well as the high hardness advantage they provide. Additionally, the combination of wear resistance and toughness resulting from high hardness offers great potential for future studies such as brake discs.

这项研究旨在开发由A7075铝/碳化硼（B4C）制成的混合复合材料，该材料具有坚硬的外部区域和柔软的内部核心，灵感来自牙齿和骨骼等自然结构，以提供高韧性。采用粉末冶金方法，根据功能梯度材料（FGM）原理，采用球磨时间（1、2、3 h）和层数（3、5、7层）进行生产。实验采用田口法进行系统优化，研究了3种不同的压缩压力（300、400、500 MPa）、烧结时间（1、2、3 h）和烧结温度（550、570、590℃）。在生产前用XRD， SEM和粒度分析对粉末进行了表征。采用ASTM E9标准的抗压强度测试、硬度和密度测试以及SEM显微组织分析对复合材料的性能进行了评价。使用田口方法分析的数据揭示了加工参数对机械性能的关键影响。当球磨时间为3 h，采用3层FGM结构时，合金的抗压强度和韧性最高，为339.1 MPa；烧结温度为590℃，烧结时间为3 h，烧结温度为550℃，烧结时间为2 h，硬度最高，为170 HB。在粉体表征中发现，随着磨矿时间的延长，B4C相粒度减小，B4C相分布均匀，但初始有团聚的倾向。田口分析的结果和参数优化为进一步的研究提供了全面的参考。分析清楚地表明，生产配方的变化取决于目标性能（耐压性、硬度或密度）。开发的FGM复合材料由于其高强度和韧性，以及它们提供的高硬度优势，可用于手臂和膝盖保护等应用。此外，高硬度的耐磨性和韧性的结合为未来的研究提供了巨大的潜力，如制动盘。

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引用次数: 0

TGO growth stress simulation by interference fit and TBCs fatigue damage patterns analysis 干涉拟合TGO生长应力模拟及tbc疲劳损伤模式分析

IF 4.7 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Chemistry and Physics

Pub Date : 2026-04-01 Epub Date: 2026-01-18 DOI: 10.1016/j.matchemphys.2026.132095

Huiyuan Wang , Yanting Ai , Jing Tian , Peng Guan , Yudong Yao , Tiannan Bao , Dongjie Zhou

Studies targeting thermally grown oxide (TGO) self-growth have often considered only morphological changes and neglected changes in the nature of the growth stress. The TGO growth stress simulation by interference fit (TGOS-IF) method is developed and the interference fit stress is equated to the growth stress, based on experimental data of TGO. Then, the life model of thermal barrier coatings (TBCs) considering TGO growth stress directly is developed, and the interpretability and accuracy of the prediction model are improved. Finally, the contribution of growth stress and thermal cycling stress to the damage and its variation with pre-oxidation time are analyzed. The results show that the maximum relative error between the simulated data of the TGOS-IF method and the experimental data of the TGO is only 0.02 %, which verifies the rationality of the method. The maximum error in predicting the life of the TBCs is only 50 %, which is an improvement of 54.7 % compared to the literature. The direct consideration of growth stress in the prediction model greatly improves the accuracy of the model. With increasing pre-oxidation time, the percentage of growth stress damage decreases from 16 % to 4 %, and the percentage of thermal cycling stress damage decreases from 80 % to 19 %, with the predicted life increasing and then significantly decreasing. This provides a central rationale for optimizing the damage percentage to enhance the life of TBCs.

针对热生长氧化物（TGO）自生长的研究通常只考虑形态变化，而忽视了生长应力性质的变化。基于TGO的实验数据，建立了干涉拟合法（TGOS-IF）模拟TGO的生长应力，并将干涉拟合应力等效为TGO的生长应力。然后，建立了直接考虑TGO生长应力的热障涂层寿命模型，提高了预测模型的可解释性和准确性。最后分析了生长应力和热循环应力对损伤的贡献及其随预氧化时间的变化规律。结果表明，TGOS-IF方法模拟数据与TGO实验数据的最大相对误差仅为0.02%，验证了该方法的合理性。预测tbc寿命的最大误差仅为50%，与文献相比提高了54.7%。预测模型中直接考虑了生长应力，大大提高了模型的准确性。随着预氧化时间的延长，生长应力损伤百分比从16%下降到4%，热循环应力损伤百分比从80%下降到19%，预测寿命先增大后显著减小。这为优化损伤百分比以提高tbc的寿命提供了核心理论依据。

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引用次数: 0

Exploring the biomedical and photocatalytic potential of copper oxide modified PdCo2S3–Mo3S6 nanostructures 探索氧化铜修饰PdCo2S3-Mo3S6纳米结构的生物医学和光催化潜力

IF 4.7 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Chemistry and Physics

Pub Date : 2026-04-01 Epub Date: 2026-01-21 DOI: 10.1016/j.matchemphys.2026.132075

Irshad Hussain , Kamran Tahir , Muhammad Saud Khan , Afaq Ullah Khan , Sameerah I. Al-Saeedi , Eman A. Alabbad , Khulood Fahad Alabbosh , Magdi E.A. Zaki , Zainab M. Almarhoon , Hatem A. Al-Aoh

This study reports the fabrication of CuO/PdCo₂S₃–Mo₃S₆ nanocomposite synthesized via hydrothermal method for integrated photocatalytic and antibacterial applications. The presence of nanoscale crystallinity within the monoclinic CuO and spinel PdCo₂S₃ was validated through XRD. SEM and TEM findings supported the theory of great interfacial contact, showing the morphological change from nanosheets to a dense granular form with CuO evenly distributed. Interpretations of BET patterns indicated a Type IV isotherm, with the surface area of the composite measured at roughly 115.6 m²/g and with mesopores at 4–6 nm. Under the influence of visible light, the composite demonstrated over 96.8 % of Bromothymol Blue (BTB) degradation with retention of at least 80 % degradation efficiency throughout a period of 6 reaction cycles. The composite also demonstrated antibacterial properties giving inhibition zones of 20 ± 0.12 mm against Staphylococcus aureus (S. aureus) and 18 ± 0.16 mm against Escherichia coli (E. coli) with minimum inhibitory concentration (MIC) of 25 μg/mL and 40 μg/mL, respectively, close to streptomycin (20 μg/mL). Although the material exhibited minimal hemolysis (<10.1 % at 150 μg/mL), suggesting good compatibility with red blood cells, additional investigation is required to fully determine its genotoxic profile and overall biological safety. These results demonstrate that CuO/PdCo₂S₃–Mo₃S₆ is a promising, stable, and safe multifunctional nanomaterial for visible-light-driven water purification and antimicrobial applications.

本文报道了水热法合成CuO/ PdCo2S3-Mo3S6纳米复合材料的制备及其光催化和抗菌的综合应用。通过XRD验证了单斜晶CuO和尖晶石PdCo2S3的纳米级结晶度。扫描电镜和透射电镜结果支持界面接触理论，显示了纳米片的形态变化到致密的颗粒形式，CuO均匀分布。BET模式的解释显示为IV型等温线，复合材料的表面积约为115.6 m2/g，介孔约为4-6 nm。在可见光的作用下，该复合材料在6个反应周期内对溴百里酚蓝（BTB）的降解率超过96.8%，降解效率保持在80%以上。该复合材料对金黄色葡萄球菌（S. aureus）和大肠杆菌（E. coli）的抑制区分别为20±0.12 mm和18±0.16 mm，最低抑制浓度（MIC）分别为25 μg/mL和40 μg/mL，接近链霉素（20 μg/mL）。虽然该材料在150 μg/mL时溶血率最低（10.1%），表明与红细胞具有良好的相容性，但需要进一步的研究来充分确定其遗传毒性特征和总体生物安全性。这些结果表明，CuO/ PdCo2S3-Mo3S6是一种有前途的、稳定的、安全的多功能纳米材料，可用于可见光驱动水净化和抗菌应用。

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引用次数: 0

Multifunctional properties of cubic vacancy-ordered double halide perovskites A2BBr6 (A = Rb, Cs; BS, se) for optoelectronic and thermoelectric applications 立方空位有序双卤化物钙钛矿A2BBr6 （A = Rb, Cs； BS, se）光电子和热电应用的多功能性质

IF 4.7 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Chemistry and Physics

Pub Date : 2026-04-01 Epub Date: 2026-01-20 DOI: 10.1016/j.matchemphys.2026.132114

Djelti Radouan, Benahmedi Lakhdar, Besbes Anissa, Aissani Ali, Bendehiba Sid Ahmed

We report a comprehensive first-principles investigation of cubic vacancy-ordered halide double perovskites A₂BBr₆ (A = Rb, Cs; BS, Se). Structural optimization confirms cubic Fm-3m symmetry with lattice parameters of 10.96–11.35 Å and formation energies around −2 eV, indicating thermodynamically favorable formation. The compounds exhibit indirect semiconducting behavior with band gaps of 2.21 eV (Cs₂SBr₆), 2.25 eV (Rb₂SBr₆), 2.70 eV (Cs₂SeBr₆), and 2.75 eV (Rb₂SeBr₆). Elastic constants satisfy Born's criteria, with bulk moduli ranging from 14.94 GPa (Cs₂SeBr₆) to 20.57 GPa (Rb₂SBr₆) and Young's moduli up to 32.4 GPa, revealing brittle behavior and significant elastic anisotropy. The Debye temperatures vary between 162 K (Cs₂SeBr₆) and 203 K (Rb₂SBr₆), correlating with lattice stiffness. Optical calculations show strong visible and UV absorption, with coefficients up to 110 × 10⁴ cm⁻¹ and static refractive indices n(0) of 1.91–2.11, highlighting potential for photonic and UV applications. Thermoelectric properties demonstrate high Seebeck coefficients (1.72–1.90 × 10⁻⁴ V/K) and low thermal conductivity, yielding figure-of-merit ZT values of 0.12–0.23 at 300 K, increasing to 0.39–0.56 at 900 K. These results establish A₂BBr₆ compounds as promising candidates for multifunctional optoelectronic and high-temperature thermoelectric applications.

我们报道了一个全面的第一性原理研究立方空位有序卤化物双钙钛矿A2BBr6 （a = Rb, Cs； BS, Se）。结构优化证实了立方Fm-3m对称，晶格参数为10.96-11.35 Å，地层能量约为- 2 eV，表明热力学有利的形成。化合物具有间接半导体行为，带隙分别为2.21 eV （Cs2SBr6）、2.25 eV （Rb2SBr6）、2.70 eV （Cs2SeBr6）和2.75 eV （Rb2SeBr6）。弹性常数满足玻恩准则，体积模量为14.94 GPa (Cs2SeBr6) ~ 20.57 GPa (Rb2SBr6)，杨氏模量为32.4 GPa，表现出脆性行为和显著的弹性各向异性。德拜温度在162 K （Cs2SeBr6）和203 K （Rb2SBr6）之间变化，与晶格刚度相关。光学计算显示出强的可见光和紫外吸收，系数高达110 × 104 cm−1，静态折射率n(0)为1.91-2.11，突出了光子和紫外应用的潜力。热电性能表现出高塞贝克系数（1.72-1.90 × 10−4 V/K）和低导热系数，在300 K时产生0.12-0.23的优点系数ZT值，在900 K时增加到0.39-0.56。这些结果表明A2BBr6化合物是多功能光电和高温热电应用的有希望的候选者。

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引用次数: 0

Green plasma engineering of cellulose surfaces for superhydrophobicity and tunable adhesion 纤维素表面超疏水性和可调粘附的绿色等离子体工程

IF 4.7 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Chemistry and Physics

Pub Date : 2026-04-01 Epub Date: 2026-02-02 DOI: 10.1016/j.matchemphys.2026.132134

Amanda de S.M. de Freitas , Rafael P. Ribeiro , Jéssica S. Rodrigues , Janine S.G. de Camargo , Elidiane C. Rangel , Adriana O. Delgado-Silva

This study investigates the modification of cellulose wettability through sequential plasma etching and film deposition to achieve superhydrophobic surfaces with tunable adhesion. The plasma treatment is a clean, solvent-free method that eliminates the need for hazardous chemicals, aligning with sustainable material development. Kraft cellulose samples were etched with oxygen plasma to generate nanoscale surface features and subsequently coated with hexamethyldisiloxane (HMDSO) films via plasma-enhanced chemical vapor deposition (PECVD). The effects of etching time and film thickness on surface properties were evaluated using scanning electron microscopy (SEM), energy-dispersive spectroscopy (EDS), infrared reflection absorption spectroscopy (IRRAS), profilometry, and contact angle measurements. Oxygen plasma etching significantly altered the cellulose microstructure by increasing roughness and producing nanostructures. HMDSO deposition further modified surface chemistry, yielding water contact angles of ∼150° and diiodomethane contact angles of ∼120°. Among the tested conditions, the 144 nm HMDSO film showed optimal performance, preserving the nano-textured morphology and maintaining a stable superhydrophobic state over the aging period evaluated (45 days), with a contact angle hysteresis of ∼9° and a sliding (roll-off) angle of ∼7°. The combination of etching times (0–60 min) and HMDSO film thicknesses (144–910 nm) generated a broad range of adhesion levels — from pinned droplets that did not roll off even at 90° tilt to very low-adhesion surfaces — demonstrating highly tunable interfacial behavior. Overall, the integration of oxygen plasma etching and HMDSO film deposition provided an effective and environmentally friendly strategy for engineering cellulose surfaces. These modified surfaces have potential applications in self-cleaning materials, antifouling coatings, and lab-on-paper devices, highlighting the promise of plasma-based technologies for advancing functional cellulose-based materials with adaptable adhesion properties.

本研究通过连续的等离子体蚀刻和薄膜沉积来改性纤维素的润湿性，以获得具有可调附着力的超疏水表面。等离子体处理是一种清洁，无溶剂的方法，消除了对危险化学品的需求，符合可持续材料的发展。用氧等离子体蚀刻牛皮纸纤维素样品，生成纳米级的表面特征，然后通过等离子体增强化学气相沉积（PECVD）涂覆六甲基二硅氧烷（HMDSO）薄膜。通过扫描电镜（SEM）、能谱（EDS）、红外反射吸收光谱（IRRAS）、轮廓术和接触角测量来评估刻蚀时间和薄膜厚度对表面性能的影响。氧等离子体蚀刻通过增加粗糙度和产生纳米结构显著改变了纤维素的微观结构。HMDSO沉积进一步改变了表面化学性质，产生的水接触角为~ 150°，二碘甲烷接触角为~ 120°。在测试条件下，144nm HMDSO薄膜表现出最佳性能，在评估的老化期间（45天）保持纳米结构形态并保持稳定的超疏水状态，接触角迟滞为~ 9°，滑动（滚脱）角为~ 7°。蚀刻时间（0-60分钟）和HMDSO薄膜厚度（144-910纳米）的结合产生了广泛的粘附水平-从即使在90°倾斜时也不会滚出的固定液滴到非常低的粘附表面-显示出高度可调的界面行为。总的来说，氧等离子体刻蚀和HMDSO膜沉积的结合为工程纤维素表面提供了一种有效且环保的策略。这些修饰的表面在自清洁材料、防污涂层和实验室纸上设备中具有潜在的应用前景，突出了等离子体技术在推进具有适应性粘附性能的功能性纤维素基材料方面的前景。

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引用次数: 0

Dopant-induced structural modulation and enhanced photosensing response in Mn-doped ZnO nanoparticles prepared by co-precipitation 共沉淀法制备mn掺杂ZnO纳米粒子的掺杂诱导结构调制和增强的光敏响应

IF 4.7 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Chemistry and Physics

Pub Date : 2026-04-01 Epub Date: 2026-01-21 DOI: 10.1016/j.matchemphys.2026.132113

M. Anujency , M. Mohamed Ibrahim , S. Vinoth , A. Anto Jeffery , Krishnakumar Balu , Mohanraj Kumar , H. Algarni , Mohd Shkir

In the present work, a detailed study was conducted to assess the photosensing performance of pure and Mn-doped ZnO nanoparticles synthesized via the co-precipitation method, with Mn concentrations ranging from 0 to 5 wt%. X-ray diffraction (XRD) confirmed that all samples crystallize in the hexagonal wurtzite structure with the P6₃mc space group. Field Emission Scanning Electron Microscopy (FESEM) revealed quasi-spherical particle morphology, while Energy Dispersive X-ray Spectroscopy (EDX) verified the successful incorporation of Mn ions into the ZnO lattice. UV–Vis absorption analysis indicated slight bandgap modulation upon doping, with values of 3.30 eV (pure), 3.27 eV (1 %), 3.28 eV (3 %), and 3.26 eV (5 %). Photoluminescence (PL) spectra showed that the 3 % Mn-doped sample exhibited the strongest emission intensity, implying enhanced charge carrier separation and radiative recombination efficiency. Correspondingly, this composition also achieved the highest responsivity (R), detectivity (D∗), and external quantum efficiency (EQE), marking it as the most efficient photosensing material among the studied samples. Overall, the results demonstrate that Mn doping significantly enhances the optoelectronic properties of ZnO, with 3 % Mn-doped ZnO emerging as a highly promising candidate for UV photodetector applications.

在本工作中，详细研究了通过共沉淀法合成的纯ZnO纳米粒子和Mn掺杂ZnO纳米粒子的光敏性能，Mn浓度范围为0 ~ 5 wt%。x射线衍射（XRD）证实，所有样品均结晶为具有P63mc空间基团的六方纤锌矿结构。场发射扫描电镜（FESEM）显示了准球形颗粒的形貌，而能量色散x射线光谱（EDX）证实了Mn离子成功进入ZnO晶格。紫外可见吸收分析表明掺杂后的带隙有轻微的调制，其值分别为3.30 eV（纯）、3.27 eV（1%）、3.28 eV（3%）和3.26 eV（5%）。光致发光（PL）光谱显示，3% mn掺杂样品的发射强度最强，表明载流子分离和辐射复合效率增强。相应地，该组合物也获得了最高的响应率(R)，探测率（D *）和外量子效率（EQE），标志着它是在所研究样品中最有效的光敏材料。总体而言，结果表明Mn掺杂显著增强了ZnO的光电性能，其中3% Mn掺杂ZnO成为紫外光电探测器应用的极有前途的候选者。

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引用次数: 0

Cu-doping improves the cyclic stability of P2-type Na0.67Ni0.33Mn0.67O2 cu的掺杂提高了p2型Na0.67Ni0.33Mn0.67O2的循环稳定性

IF 4.7 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Chemistry and Physics

Pub Date : 2026-04-01 Epub Date: 2026-01-29 DOI: 10.1016/j.matchemphys.2026.132133

Mingxuan Zong , Jiayu Song , Wei Zhang , Yanjiang Zhang , Yueyang Liu , Li Zhao , Changsong Dai

P2-type Na_0.67Ni_0.33Mn_0.67O₂ garners significant interest in the research community owing to its impressive electrochemical performance, including a high operating voltage of 3.8 V and a substantial cyclic specific capacity of 173 mAh g⁻¹. Despite its promising electrochemical properties, the operational viability of P2–Na_0.67Ni_0.33Mn_0.67O₂ cathodes is significantly constrained by voltage-activated crystalline reconfiguration between P2 and O2 polymorphs. To address this issue, this study prepares a series of Cu-doped cathode materials, Na_0.67Ni_0.33Mn_0.67-xCu_xO₂ (x = 0, 0.02, 0.04, 0.06, 0.08, 0.10), using a co-precipitation method. X-Ray Diffraction shows that Cu-doping enlarges the unit cell, shortens TM-O but lengthens Na–O bonds. Other material phase characterization indicate that Cu is evenly doped in the material structure. The Na_0.67Ni_0.33Mn_0.61Cu_0.06O₂ material exhibits higher cyclic stability (while the undoped sample retains only 14.15 % capacity after 200 cycles at 100 mA g⁻¹, the modified material maintains 73.51 % of its initial capacity under identical conditions). Electrochemical characterization through charge-discharge cycling and Cyclic Voltammetry tests reveals that Cu doping stabilizes the structure by hindering the P2→O2 phase change. Meanwhile, Electrochemical Impedance Spectroscopy tests indicate that Cu doping effectively improves the charge exchange kinetics of the material. In-situ XRD demonstrates that Cu substitution kinetically suppresses the voltage-induced polymorphic transformation during electrochemical cycling.

由于其令人印象深刻的电化学性能，包括3.8 V的高工作电压和173 mAh g−1的可观循环比容量，p2型Na0.67Ni0.33Mn0.67O2引起了研究界的极大兴趣。尽管具有良好的电化学性能，但P2 - na0.67 ni0.33 mn0.67 O2阴极的工作可行性受到P2和O2多晶之间的电压激活晶体重构的显著限制。为了解决这一问题，本研究采用共沉淀法制备了一系列cu掺杂正极材料Na0.67Ni0.33Mn0.67-xCuxO2 （x = 0, 0.02, 0.04, 0.06, 0.08, 0.10）。x射线衍射结果表明，cu掺杂使晶胞增大，缩短了TM-O键，延长了Na-O键。其他材料相表征表明，Cu在材料结构中均匀掺杂。na0.67 ni0.33 mn0.61 cu0.060 o2材料表现出更高的循环稳定性（在100 mA g - 1下循环200次后，未掺杂样品仅保留14.15%的容量，而改性材料在相同条件下保持其初始容量的73.51%）。通过充放电循环和循环伏安测试的电化学表征表明，Cu掺杂通过阻碍P2→O2相变来稳定结构。电化学阻抗谱测试表明，Cu的掺杂有效地改善了材料的电荷交换动力学。原位XRD分析表明，Cu取代抑制了电化学循环过程中电压诱导的多晶转变。

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引用次数: 0

Li2MnO3 coupled with BaTiO3 nanocomposite heterojunction for efficient S-scheme photocatalytic mineralization of the antibiotic ciprofloxacin in water Li2MnO3偶联BaTiO3纳米复合异质结在水中高效S-scheme光催化矿化抗生素环丙沙星

IF 4.7 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Chemistry and Physics

Pub Date : 2026-04-01 Epub Date: 2026-01-17 DOI: 10.1016/j.matchemphys.2026.132084

Almuhrah A.N. Alroba , Mostafa E. Salem , Ahmed Shawky , Soliman I. El-Hout

Excessive antibiotic use in water bodies is a risk that accelerates the process of antimicrobial resistance. While heterojunction systems provide a green way to remove organic pollutants via photocatalytic redox reactions, it is still a big challenge to fabricate a highly efficient visible-light-driven photocatalyst. This study suggested the synthesis of BaTiO₃ nanocrystals modified with a 5–20 wt% Li₂MnO₃ for the photocatalytic degradation of ciprofloxacin (CIP). The incorporation of Li₂MnO₃ decreased the surface area but had a significant effect on bandgap narrowing to ∼2.46 eV, which promoted the absorption of visible light and inhibited charge recombination. The 15.0 wt% Li₂MnO₃–BaTiO₃ composite achieved full CIP photooxidation in 50 min (rate constant: 0.045 min⁻¹) and retained 94 % of its original activity after five reuse runs. The performance improvement is due to better light absorption and a highly efficient separation of photogenerated charges, enabled by the S-scheme mechanism. This work advances the application of effective titanate-based heterostructures for sustainable wastewater treatment.

在水体中过度使用抗生素是加速抗菌素耐药性进程的一种风险。虽然异质结系统提供了一种通过光催化氧化还原反应去除有机污染物的绿色方法，但制造一种高效的可见光驱动光催化剂仍然是一个很大的挑战。本研究提出了用5-20 wt% Li2MnO3修饰的BaTiO3纳米晶体的合成，用于光催化降解环丙沙星（CIP）。Li2MnO3的掺入减少了比表面积，但对带隙缩小到~ 2.46 eV有显著影响，这促进了可见光的吸收，抑制了电荷的复合。15.0 wt%的Li2MnO3-BaTiO3复合材料在50分钟内（速率常数：0.045 min - 1）实现了完全的CIP光氧化，并且在重复使用五次后保持了94%的原始活性。性能的提高是由于更好的光吸收和光生电荷的高效分离，这是由s方案机制实现的。本工作促进了钛酸盐基异质结构在废水可持续处理中的应用。

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引用次数: 0

Optimized influence of electrolyte on the electrochemical behaviour of LFP/MWCNT electrodes: Interface Engineering 电解液对LFP/MWCNT电极电化学行为的优化影响：界面工程

IF 4.7 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Chemistry and Physics

Pub Date : 2026-04-01 Epub Date: 2026-01-16 DOI: 10.1016/j.matchemphys.2026.132077

Diganta Kuar, Arjun K S, Sushama M. Giripunje

Supercapacitors have gained a wide attention due to their low cost, environmental friendliness, and safe energy storage applications. Though Li-based materials are mostly utilized in battery applications, these materials can also be used in supercapacitors. A hybrid supercapacitor based on hydrothermally synthesized lithium iron phosphate (LFP) can demonstrate the benefits of a supercapacitor while retaining some characteristics of a battery. LFP and multi-walled carbon nanotube (MWCNT) composite was formed with different weight ratio compositions through the hydrothermal route, and the electrodes were tested in three aqueous electrolytes: 3 M KOH, 3 M NaOH, and 3 M LiOH. For LFP:MWCNT in 1:0.3(w/w) optimized ratio, the specific capacitance of 1080.94 F g⁻¹ was observed in 3 M KOH electrolyte. The galvanometric charge-discharge (GCD) profile showed the notable energy density and power density of 36.53 Wh kg⁻¹ and 521.92 W kg⁻¹, respectively, at 2 A g⁻¹ current density. The study also shows capacitance retention of 68.64 % after 2000 cycles. MWCNT anode was employed alongside LFP/MWCNT cathode in 3 M KOH aqueous electrolyte for the formation of a hybrid supercapacitor (HS). The prepared HS showed a specific capacitance of 32.70 F g⁻¹. From the GCD profile of the HS, energy density and power density were found to be 7.88 Wh kg⁻¹ and 379.20 W kg⁻¹ at 0.4 A g⁻¹ constant current density. The further study of the HS showed a 70.96 % capacitance retention after 2000 cycles. Thus, this composition of electrodes shows a promising application of the hybrid supercapacitor, having the potential to be incorporated in hybrid electric technology.

超级电容器因其低成本、环保、安全的储能应用而受到广泛关注。虽然锂基材料主要用于电池应用，但这些材料也可以用于超级电容器。基于水热合成磷酸铁锂（LFP）的混合超级电容器可以在保留电池某些特性的同时展示超级电容器的优点。通过水热法制备了不同重量比组成的LFP和多壁碳纳米管（MWCNT）复合材料，并在3 M KOH、3 M NaOH和3 M LiOH水溶液中对电极进行了测试。在3 M KOH电解液中，LFP:MWCNT在1:0.3（w/w）比例优化后的比电容为1080.94 F g−1。在2 A g−1电流密度下，恒流充放电曲线的能量密度和功率密度分别为36.53 Wh kg−1和521.92 W kg−1。研究还表明，经过2000次循环后，电容保持率为68.64%。采用MWCNT阳极与LFP/MWCNT阴极在3 M KOH水溶液中形成混合超级电容器（HS）。制备的HS比电容为32.70 F g−1。在0.4 A g−1恒流密度下，HS的能量密度和功率密度分别为7.88 Wh kg−1和379.20 W kg−1。进一步研究表明，经过2000次循环后，HS的电容保持率为70.96%。因此，这种电极组成显示了混合超级电容器的一个有前途的应用，有可能被纳入混合电力技术。

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引用次数: 0