FlatChem最新文献_第8页

2D materials-based hybrid films for rhodamine B removal and SERS detection 基于二维材料的混合膜去除罗丹明B和SERS检测

IF 6.2 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-11-01 Epub Date: 2025-11-17 DOI: 10.1016/j.flatc.2025.100969

Beatriz P. de Sousa , Leonardo Amaral , Ana L. Daniel-da-Silva , Tito Trindade , Gil Gonçalves , Sara Fateixa

Growing concerns among consumers and regulatory authorities regarding food safety have highlighted the need for effective detection and removal of hazardous substances. Rhodamine B (RhB), an illegal food dye with known genotoxic and carcinogenic properties, poses a significant threat to food safety and human health. In this study, we report for the first time the fabrication of multifunctional hybrid films composed of graphene oxide (GO) and molybdenum disulfide (MoS₂) nanosheets for the dual purpose of RhB removal and surface-enhanced Raman scattering (SERS) detection. Hybrid films were engineered by varying the relative concentrations and compositions of the GO and MoS₂. Structural analysis revealed that the increased MoS₂ content in the hybrid films resulted in the formation of two distinct regions, a dense MoS₂-rich bottom layer and a GO-enriched upper layer. Adsorption studies showed that the RhB removal efficiency increased with MoS₂ content, achieving up to 99.9 % removal with films composed entirely of MoS₂ (100 wt%). SERS analysis revealed a relationship between the MoS₂ and GO content in the hybrid films and the Raman signal intensity of RhB. These outcomes can be attributed to the differences in the molecular interactions between RhB and the individual film components of the sensors. To balance the high adsorption efficiency with sensitive detection, hybrid films containing 75 and 100 wt% MoS₂ (GO/MoS₂_25/75, GO/MoS₂_0/100, respectively) were selected for further validation. The proof-of-concept was demonstrated using RhB-spiked sweet pepper powder, where the GO/MoS₂_0/100 film achieved a detection limit of 0.01 wt% (100 ppm), and the GO/MoS₂_25/75 film detected as low as 0.1 wt% (1000 ppm). In addition, RhB was detected in complex water samples, namely wastewater, mineral water, tap water, and Aveiro Estuary water, using the GO/MoS₂_0/100 film, with a detection limit of 100 nM for the latter. Overall, this study introduces a new class of multifunctional 2D-material-based hybrid films that merge adsorption and SERS sensing capabilities within a single architecture, offering a technologically meaningful and simple approach for ultrasensitive, on-site monitoring and removal of illicit food dyes and related contaminants.

消费者和管理当局对食品安全的日益关注突出了有效检测和清除有害物质的必要性。罗丹明B （Rhodamine B, RhB）是一种已知具有遗传毒性和致癌性的非法食用染料，对食品安全和人类健康构成重大威胁。在这项研究中，我们首次报道了由氧化石墨烯（GO）和二硫化钼（MoS2）纳米片组成的多功能杂化膜的制备，用于去除RhB和表面增强拉曼散射（SERS）检测的双重目的。通过改变氧化石墨烯和二硫化钼的相对浓度和组成来设计杂化膜。结构分析表明，随着MoS2含量的增加，杂化膜形成了致密的富MoS2底层和富go上层。吸附研究表明，随着MoS2含量的增加，RhB的去除率提高，在完全由MoS2组成的膜（100 wt%）下，RhB的去除率可达99.9%。SERS分析揭示了混合膜中MoS2和GO含量与RhB的拉曼信号强度之间的关系。这些结果可归因于RhB与传感器的单个膜组分之间分子相互作用的差异。为了平衡高吸附效率和灵敏的检测，选择含有75和100 wt% MoS2的杂化膜（分别为GO/MoS2_25/75， GO/MoS2_0/100）进行进一步验证。使用添加了rhb的甜椒粉进行了概念验证，其中GO/MoS2_0/100膜的检测限为0.01 wt% (100 ppm)， GO/MoS2 _25/75膜的检测限低至0.1 wt% （1000 ppm）。此外，利用GO/MoS2_0/100膜对废水、矿泉水、自来水和阿威罗河口水等复杂水样中的RhB进行了检测，后者的检出限为100 nM。总的来说，这项研究引入了一类新的多功能2d材料混合薄膜，它将吸附和SERS传感能力融合在一个单一的结构中，为超灵敏、现场监测和去除非法食品染料和相关污染物提供了一种技术上有意义和简单的方法。

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引用次数: 0

UV-induced, nonenzymatic, H₂O₂-free colorimetric detection of Dopamine using MXene-based quasi-quantum dots 基于mxeni准量子点的紫外诱导、非酶、无H₂O₂比色法检测多巴胺

IF 6.2 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-11-01 Epub Date: 2025-11-09 DOI: 10.1016/j.flatc.2025.100966

Rajapriya Govindaraju, Jongsung Kim

This study presents a UV-activated, nonenzymatic, and hydrogen peroxide–independent colorimetric sensing strategy for the highly sensitive and selective detection of dopamine (DA), utilizing MXene-derived quasi-quantum dots (MQQDs) as photoactive nanozymes. The MQQDs demonstrate pronounced UV-activated oxidase-mimetic catalytic activity, facilitating the oxidation of 3,3′,5,5′-tetramethylbenzidine (TMB) into its blue oxidized form (oxTMB) in the absence of H₂O₂. Upon the introduction of dopamine (DA), the absorbance intensity of oxTMB at 652 nm decreases progressively with increasing DA concentration. This attenuation is attributed to the redox interplay between DA and the photoexcited MQQDs, wherein DA acts as an electron donor, reducing oxTMB back to its colorless TMB form and thereby inhibiting the oxidation reaction. This electron-transfer-mediated inhibition mechanism enables quantitative colorimetric detection of DA with a detection limit of 65.4 nM. Spectroscopic analysis and kinetic fitting confirm the UV-triggered oxidase-mimetic behavior of MQQDs following Michaelis–Menten kinetics. The developed H₂O₂-free photoenzymatic platform offers a facile, stable, and environmentally benign route for DA quantification, with promising applicability in point-of-care diagnostics and neurochemical sensing.

本研究提出了一种利用mxene衍生的准量子点（MQQDs）作为光活性纳米酶，用于高灵敏度和选择性检测多巴胺（DA）的紫外线激活、非酶和不依赖过氧化氢的比色传感策略。MQQDs表现出明显的紫外光激活氧化酶模拟催化活性，促进3,3 ',5,5 ' -四甲基联苯胺（TMB）在没有H₂O₂的情况下氧化成蓝色氧化形式（oxTMB）。引入多巴胺（DA）后，oxTMB在652nm处的吸光度强度随着DA浓度的增加而逐渐降低。这种衰减归因于DA和光激发的MQQDs之间的氧化还原相互作用，其中DA作为电子供体，将oxTMB还原为无色的TMB形式，从而抑制氧化反应。这种电子传递介导的抑制机制使DA的定量比色检测具有65.4 nM的检出限。光谱分析和动力学拟合证实了MQQDs符合Michaelis-Menten动力学的紫外触发氧化酶模拟行为。开发的无H₂O₂光酶平台为DA定量提供了一种简单、稳定、环保的途径，在即时诊断和神经化学传感方面具有广阔的应用前景。

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引用次数: 0

Thermal transport properties of WSe2 monolayer with tilt grain boundaries 倾斜晶界WSe2单层的热输运性质

IF 6.2 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-11-01 Epub Date: 2025-10-23 DOI: 10.1016/j.flatc.2025.100964

Nuruzzaman Sakib , Md Rashidul Alam , Sara Neshani , Kasra Momeni

Two-dimensional transition metal dichalcogenides like tungsten diselenide (WSe₂) have exceptional electronic, optical, and thermal properties, which are critical for advanced device applications. However, understanding the impact of grain boundaries (GBs) on thermal conductivity remains limited. This study investigates the influence of tilt GBs on thermal transport in monolayer WSe₂ through non-equilibrium molecular dynamics simulations utilizing a reactive force field (ReaxFF). We systematically examined GBs with misorientation angles ranging from 1.12° to 21.79°, corresponding to pentagon-heptagon (5|7) defect densities from 0.00595 Å⁻¹ to 0.11445 Å⁻¹. Results show a significant reduction in thermal conductivity from 23.7 ± 0.96 W/mK for pristine WSe₂ to approximately 10.1 W/mK at the highest GB angle of 21.79°, highlighting enhanced phonon scattering. Additionally, Kapitza resistance notably increases from 0.31 m²K/GW at the lowest defect density (1.12°) to 5.08 m²K/GW at the highest defect density (21.79°), reflecting diminished heat transfer efficiency. This research underscores the critical role of GBs in modulating thermal transport in WSe₂ monolayers, providing valuable insights for thermal management in nanoscale electronic and thermoelectric devices, and paving the way for optimized device performance in next-generation flexible electronics.

二维过渡金属二硫族化合物，如二硒化钨（WSe₂）具有卓越的电子，光学和热性能，这对于先进的设备应用至关重要。然而，对晶界（GBs）对导热性的影响的理解仍然有限。本研究利用反作用力场（ReaxFF）进行非平衡分子动力学模拟，研究倾斜GBs对单层WSe 2中热输运的影响。我们系统地检测了取向角为1.12°至21.79°的gb，对应于五边形-七边形（5 bbb7）缺陷密度为0.00595 Å−1至0.11445 Å−1。结果表明，在最高GB角为21.79°时，原始WSe 2的热导率从23.7±0.96 W/mK显著降低至约10.1 W/mK，声子散射增强。此外，Kapitza电阻从最低缺陷密度（1.12°）时的0.31 m2K/GW显著增加到最高缺陷密度（21.79°）时的5.08 m2K/GW，反映了传热效率的降低。该研究强调了GBs在调节WSe 2单层热输运中的关键作用，为纳米级电子和热电器件的热管理提供了有价值的见解，并为下一代柔性电子器件的优化器件性能铺平了道路。

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引用次数: 0

Structural design of MOF-derived NiS/V2O3/C heterogeneous nanostructures for high-performance supercapacitors 高性能超级电容器用mof衍生NiS/V2O3/C非均相纳米结构的结构设计

IF 6.2 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-11-01 Epub Date: 2025-10-26 DOI: 10.1016/j.flatc.2025.100965

Chenxuan Xu , Junjie Yang , Wen Xu , Jie Fang , Nianhua Guan , Linjun Si , Weifeng Shen , Binbin Wen , Wanxin Mai , R. Chenna Krishna Reddy , Yongbo Wu , Xiaoming Lin

With the growth in the demand for sustainable energy, the development of efficient energy storage systems is of vital importance. Supercapacitors have attracted much attention due to their fast charging and discharging characteristics, but their performance is limited by the conductivity and stability of the electrode materials. This study proposes an environmentally friendly and scalable solid-phase synthesis strategy for in-situ preparation of NiS/V₂O₃/C heterogeneous nanostructures for high-performance supercapacitors. NiS/V₂O₃/C nanomaterials were obtained through vulcanization calcination by controlling the thermal annealing process. The construction of composite material heterojunctions can form an internal electric field, which greatly promotes charge transfer. Meanwhile, the high sulfur content and diverse valence states provide abundant redox active sites. Thanks to the unique synergistic effect and structure, the NiS/V₂O₃/C electrode exhibits excellent electrochemical performance in the 6 M KOH electrolyte: the specific capacity reaches 996 F g⁻¹ at A current density of 1 A g⁻¹, and the capacity retention rate after 3000 cycles was 76.2 %. This method provides a new idea for the large-scale preparation of polymetallic sulfide electrode materials and is expected to promote the development of high energy/power density energy storage devices.

随着可持续能源需求的增长，开发高效的储能系统至关重要。超级电容器因其快速充放电特性而备受关注，但其性能受到电极材料导电性和稳定性的限制。本研究提出了一种环境友好且可扩展的固相合成策略，用于原位制备高性能超级电容器用NiS/V2O3/C非均相纳米结构。通过控制热退火工艺，通过硫化煅烧制备了NiS/V2O3/C纳米材料。复合材料异质结的构建可以形成内部电场，极大地促进电荷的转移。同时，高含硫量和多种价态提供了丰富的氧化还原活性位点。由于独特的协同效应和结构，NiS/V2O3/C电极在6 M KOH电解液中表现出优异的电化学性能：在电流密度为1 A g−1时，比容量达到996 F g−1，循环3000次后容量保持率为76.2%。该方法为大规模制备多金属硫化物电极材料提供了新的思路，有望推动高能量/功率密度储能器件的发展。

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引用次数: 0

Strain-mediated rapid growth of vertically oriented 2D MoSe₂: Insights into the growth mechanism 应变介导的垂直定向二维MoSe 2的快速生长：生长机制的见解

IF 6.2 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-11-01 Epub Date: 2025-10-23 DOI: 10.1016/j.flatc.2025.100963

Rohit Kumar , Shreya Chandravanshi , Rejaul Ali , Subhashis Gangopadhyay , Arnab Hazra

Horizontally aligned transition metal dichalcogenides (TMDCs) are well-suited for charge transport applications, while vertically oriented TMDCs are advantageous for high surface area applications such as catalysis, water splitting, and energy storage. However, the mechanism governing these structural and morphological transition remains unclear. This study provides a comprehensive growth time profile and demonstrates that parameters such as strain, distribution of grain boundaries, randomness and interlayer distance plays the critical role in driving the desirable morphological evolution. Here, we investigate the growth dynamics of MoSe₂ thin films synthesized via chemical vapor deposition (CVD), with a focus on understanding and optimizing the horizontal-to-vertical transition as a function of growth time. Scanning electron microscopy and high-resolution transmission electron microscopy (HRTEM) were used to trace the stacking and structural order, while Raman spectroscopy and photoluminescence spectroscopy (PL) were used to investigate the variation of stacking and optical order. X-ray photoelectron spectroscopy (XPS) was used to investigate the chemical environment of the films, and field-effect transistors (FET) measurements were used to assess electrical properties such as mobility and surface carrier density. To support the experimental findings, a computational multilayer stacking framework was developed to project desirable randomness in a controlled manner through the variation of interlayer distance and simulating extent of strain mediation through wide range of unstrained, compressive, tensile and even highly diffusive strain states. This model helps to establish the relationship between the interlayer distortion and randomness with the optical asymmetry, providing insights into strain-mediated widely distributed direct to indirect optical transitions. This can further serve as an optical marker especially for these highly randomized directional vertical oriented flakes. Overall, this study presents a fundamental understanding of strain-induced morphological transitions in MoSe₂ thin films and offers a framework for tracing and tuning the optical and electronic properties in anisotropic 2D materials.

水平取向的过渡金属二硫族化合物（TMDCs）非常适合于电荷传输应用，而垂直取向的TMDCs则有利于高表面积应用，如催化、水分解和能量储存。然而，控制这些结构和形态转变的机制尚不清楚。该研究提供了一个全面的生长时间曲线，并表明应变、晶界分布、随机性和层间距离等参数在驱动理想的形态演变中起着关键作用。在这里，我们研究了化学气相沉积（CVD）合成的MoSe 2薄膜的生长动力学，重点是了解和优化水平到垂直的转变作为生长时间的函数。利用扫描电镜（sem）和高分辨率透射电镜（HRTEM）跟踪材料的层序和结构，利用拉曼光谱（Raman spectroscopy）和光致发光光谱（PL）研究材料的层序和结构变化。x射线光电子能谱（XPS）用于研究薄膜的化学环境，场效应晶体管（FET）测量用于评估电学性能，如迁移率和表面载流子密度。为了支持实验结果，开发了一种计算多层堆叠框架，通过层间距离的变化以可控的方式投射理想的随机性，并在大范围的非应变、压缩、拉伸甚至高扩散应变状态下模拟应变中介的程度。该模型有助于建立层间畸变和随机性与光学不对称之间的关系，提供了对应变介导的广泛分布的直接到间接光学跃迁的见解。这可以进一步作为光学标记，特别是对于这些高度随机定向垂直取向的薄片。总的来说，本研究提供了对MoSe₂薄膜中应变诱导的形态转变的基本理解，并为追踪和调整各向异性二维材料的光学和电子特性提供了框架。

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引用次数: 0

Adsorption-based removal of organic dyes via a sustainably produced few-layered graphene: A potential method for industrial wastewater treatment 通过可持续生产的少层石墨烯吸附去除有机染料：一种潜在的工业废水处理方法

IF 6.2 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-09-01 Epub Date: 2025-08-14 DOI: 10.1016/j.flatc.2025.100923

Reece M.D. Bristow , Stefan H. Bossmann , Peter J.S. Foot , Ian G. Beadham , Ayomi S. Perera

This study discusses adsorption-based removal of six chemically distinctive organic dyes using graphene produced via a chamber explosion method. The method of graphene synthesis is sustainable as it produces zero waste, requires low energy and is scalable. The dye removal was investigated via UV–visible spectroscopy and proved to be efficient, with near-complete removal of all dyes within 10 min of adsorption by graphene. Specifically, 99 %, 100 %, 98 %, 95 %, 99 % and 100 % of removal was observed for Congo red, crystal violet, methylene blue, malachite green, indigo carmine and Rhodamine B, respectively, within 10 min. The physicochemical properties of the graphene were thoroughly characterised and it was shown to consist of few-layered forms, with high surface area despite being non-porous, and it comprised of almost 99 % carbon. The dye adsorption behaviour fitted pseudo second-order kinetics with Congo red showing the highest rate of 0.627 g/mg.min. Adsorption capacity of graphene was investigated via isothermal analysis using Congo red and indicated an estimated q_max of 44.24 mg/g. Congo red-adsorbed graphene was regenerated by calcination, and showed a retention of 99.5 % carbon, evidencing the robustness of the graphene. Subsequent reuse of calcined graphene for further dye adsorption indicated 97 % and 100 % dye removal within 15 and 60 min, respectively, indicating potential for recyclability. There appeared to be a direct relationship between fast dye adsorption and the number of rotatable bonds within each dye that led to improved π-π stacking and electrostatic attractions. This sustainably-produced graphene could be a good contender for specialised applications in water purification against conjugated dyes or related organic contaminants, due to its fast, irreversible adsorption capability and recyclability.

本研究讨论了通过室爆法产生的石墨烯吸附去除六种化学上独特的有机染料。石墨烯的合成方法是可持续的，因为它产生零浪费，需要低能源，可扩展。通过紫外可见光谱研究了染料的去除效果，证明了石墨烯在吸附后10分钟内几乎完全去除了所有染料。其中，刚果红、结晶紫、亚甲基蓝、孔雀石绿、靛胭脂红和罗丹明B的去除率分别为99%、100%、98%、95%、99%和100%。石墨烯的物理化学性质得到了彻底的表征，它被证明是由很少的层状结构组成的，尽管无孔，但具有很高的表面积，而且它几乎由99%的碳组成。染料对刚果红的吸附速率最高，为0.627 g/mg.min，符合准二级动力学。用刚果红等温分析研究了石墨烯的吸附能力，估计最大吸附量为44.24 mg/g。刚果红吸附的石墨烯通过煅烧再生，并显示出99.5%的碳保留率，证明了石墨烯的鲁棒性。随后对煅烧的石墨烯进行进一步的染料吸附，在15分钟和60分钟内分别有97%和100%的染料去除率，表明了可回收性的潜力。染料的快速吸附与每个染料内可旋转键的数量之间似乎存在直接关系，从而导致π-π堆积和静电吸引力的改善。由于其快速、不可逆的吸附能力和可回收性，这种可持续生产的石墨烯可能是一种很好的竞争者，可用于针对共轭染料或相关有机污染物的水净化。

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引用次数: 0

(002)-Textured zinc metal anode with low residual stress for stable aqueous zinc batteries （002）-具有低残余应力的织构锌金属阳极，用于稳定的水性锌电池

IF 6.2 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-09-01 Epub Date: 2025-08-27 DOI: 10.1016/j.flatc.2025.100925

Xinyue Zhu , Zibo Chen , Jianyu Chen , Jin Zhao

Rechargeable aqueous zinc batteries have significant promise for large-scale energy storage applications due to their low cost and high safety. However, the dendrite growth and side reactions at the zinc anode severely restrict their commercialization. While plastic deformation can be used to directly prepare (002) textured zinc anodes, but it will introduce harmful residual stresses, which have been shown to be the intrinsic to dendrite growth. In this study, we propose a simple annealing method for successfully achieving a balance between texture optimization and stresses mitigation in zinc metal anode. The low-residual-stress zinc metal anode with (002) texture prepared in this way exhibits excellent cycle stability in Zn||Zn symmetric cell (stable cycling for 2230 h at 1 mA cm⁻²), and significantly improves the performance of the Zn||MnO₂ full cell (capacity retention of ∼90.48 % after 800 cycles at 1 A g⁻¹). This research provides an effective, simple solution for industrially preparing high-performance zinc anodes, and promotes the practical application of aqueous zinc batteries.

可充电水锌电池由于其低成本和高安全性，在大规模储能应用中具有重要的前景。然而，锌阳极的枝晶生长和副反应严重限制了其商业化。虽然塑性变形可以直接用于制备（002）织构锌阳极，但它会引入有害的残余应力，这已被证明是枝晶生长的内在因素。在这项研究中，我们提出了一种简单的退火方法，成功地实现了锌金属阳极织构优化和应力缓解之间的平衡。用这种方法制备的具有（002）织体的低残余应力锌金属阳极在Zn||Zn对称电池中表现出优异的循环稳定性（在1 mA cm−2下稳定循环2230 h），并显著提高Zn||MnO2全电池的性能（在1 A g−1下循环800次后容量保持率为90.48%）。本研究为高性能锌阳极的工业化制备提供了一种有效、简单的解决方案，促进了锌水电池的实际应用。

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引用次数: 0

Effect of poling in solar/visible light photocatalysis for binary dye degradation using 0.937(Bi0.5Na0.5)TiO3–0.063BaTiO3 0.937(Bi0.5Na0.5) TiO3-0.063BaTiO3光催化降解二元染料的极化效应

IF 6.2 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-09-01 Epub Date: 2025-08-28 DOI: 10.1016/j.flatc.2025.100926

Abhishek Shukla, Vishal Singh Chauhan, Rahul Vaish

Solar light and visible light active 0.937((Bi_0.5Na_0.5)TiO₃)–0.063(BaTiO₃) (BNT-BT) was examined to investigate the effect of poling in photocatalysis for dye degradation efficacy. To verify the phase, vibrational modes, morphology, chemical composition and band gap of sample, X-ray diffraction (XRD), Raman spectroscopy and field emission scanning electron microscopy (FE-SEM), X-ray photoelectron spectroscopy (XPS) and DRS (diffuse reflectance spectroscopy) were utilized, respectively. In MB (Methylene Blue), RhB (Rhodamine B) and binary dye solution (MB + RhB; 50:50 volume) (10 mg/L) photocatalysis experiments were performed. Using poled sample, the degradation of MB dye was increased significantly to 72 % compared to unpoled sample (48 %). RhB dye degradation increased to 42 %, from 11 % in the poled sample. The poled BNT-BT sample showed enhanced dye degradation in the binary dye solution. The poled sample degraded 73 % MB and 62 % RhB individually, compared to 59 % MB, 23 % RhB in the unpoled sample. Under solar light, poled samples degraded binary dye efficiently (76 % MB, 78 % RhB individually) in 90 min. Next, poled samples were tested at initial binary dye concentrations of 10, 15, and 20 mg/L. Maximum rate constants observed at 10 mg/L (MB: 0.016, RhB: 0.0094 min⁻¹) and minimum at 20 mg/L (MB: 0.006, RhB: 0.0016 min⁻¹).

以太阳光和可见光活性0.937((Bi0.5Na0.5)TiO3) -0.063 (BaTiO3) （BNT-BT）为实验材料，考察极化光催化对染料降解效果的影响。为了验证样品的相位、振动模式、形貌、化学成分和带隙，分别利用x射线衍射（XRD）、拉曼光谱（Raman）和场发射扫描电镜（FE-SEM）、x射线光电子能谱（XPS）和漫反射光谱（DRS）进行了验证。在MB（亚甲基蓝）、RhB（罗丹明B）和二元染料溶液（MB + RhB； 50:50体积）（10 mg/L）中进行光催化实验。与未极化样品（48%）相比，极化样品对MB染料的降解率显著提高至72%。RhB染料降解率从极化样品的11%提高到42%。经极化后的BNT-BT样品在二元染料溶液中染料降解增强。极化样本分别降解了73%的MB和62%的RhB，而未极化样本分别降解了59%的MB和23%的RhB。在太阳光下，极化样品在90分钟内有效地降解了二元染料（分别为76% MB和78% RhB）。接下来，极化样品在初始二元染料浓度为10、15和20 mg/L时进行测试。最大速率常数为10mg /L (MB: 0.016, RhB: 0.0094 min - 1)，最小速率常数为20mg /L （MB: 0.006, RhB: 0.0016 min - 1）。

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引用次数: 0

OCD-graphene: a 2D carbon allotrope with high theoretical capacity for sodium-ion batteries ocd -石墨烯：一种具有高钠离子电池理论容量的二维碳同素异形体

IF 5.9 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-09-01 Epub Date: 2025-07-14 DOI: 10.1016/j.flatc.2025.100910

Nicolas F. Martins , José A. Laranjeira , Julio R. Sambrano

The performance of the newly designed octagonal-distorted two-dimensional (2D) material, named OCD-graphene, as an anode for sodium-ion batteries (SIBs) is systematically studied using density functional theory (DFT) simulations. The OCD-graphene monolayer exhibits robust dynamic and thermal stability, confirmed by phonon dispersion and ab initio molecular dynamics (AIMD) calculations. This structure shows a significant mechanical response, following the Born-Huang stability criteria. The single Na atom preferentially binds to the octagonal-distorted ring of OCD-graphene with an adsorption energy (

E_{ads}

) of −1.64 eV. Full sodiation results (24 Na atoms) yielding a remarkable capacity of 1339 mAh/g, superior to many traditional anode materials. The

E_{ads}

ranges from −1.49 eV to −0.58 eV, indicating favorable Na interaction with the sheet and suitable charge transfer. AIMD simulations confirm the stability of the system at 300 K. Additionally, Na mobility across OCD-graphene is facilitated by a low migration barrier of 0.12 eV and a high diffusion rate (D ≈ 9.72 × 10⁻³). The electrochemical stability of the Na electrode is verified within a suitable open circuit voltage range (1.49–0.40 V). These findings highlight the potential of OCD-graphene as a high-performance anode material for SIBs, paving the way for further research.

采用密度泛函理论（DFT）模拟系统研究了新设计的八角形扭曲二维（2D）材料ocd -石墨烯作为钠离子电池（sib）阳极的性能。声子色散和从头算分子动力学（AIMD）计算证实，ocd -石墨烯单层具有强大的动态和热稳定性。该结构表现出明显的力学响应，符合Born-Huang稳定准则。单个Na原子优先结合在ocd -石墨烯的八边形扭曲环上，其吸附能（Eads）为−1.64 eV。全钠化结果（24个Na原子）产生1339 mAh/g的显著容量，优于许多传统的阳极材料。Eads在- 1.49 eV到- 0.58 eV之间，表明Na与薄膜的相互作用良好，电荷转移适宜。AIMD仿真验证了该系统在300k时的稳定性。此外，钠离子在ocd -石墨烯上的迁移势垒为0.12 eV，扩散速率高（D≈9.72 × 10−3）。在合适的开路电压范围（1.49 ~ 0.40 V）内验证了Na电极的电化学稳定性。这些发现突出了ocd -石墨烯作为sib高性能阳极材料的潜力，为进一步的研究铺平了道路。

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引用次数: 0

High-performance SiC/CNT/RGO films through nanowelding engineering for electromagnetic shielding applications: Fabrication and optimization 高性能SiC/CNT/RGO薄膜通过纳米焊接工程用于电磁屏蔽应用：制造和优化

IF 5.9 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-09-01 Epub Date: 2025-07-21 DOI: 10.1016/j.flatc.2025.100909

Fan Feng , Zhidong Han , Yupei Li , Feizhou Wang , Changyu Liu , Qingwen Qu , Bing Wei , Qun Wang

The rapid escalation of electromagnetic pollution has intensified the demand for flexible films demonstrating superior electromagnetic shielding effectiveness. In this study, self-supporting SiC/CNT/RGO films were fabricated using a filtration self-assembly method and subsequently high temperature treatment their and their electromagnetic shielding performance was systematically tuned by adjusting SiC content. The incorporation of carbon nanotubes (CNT) effectively bridges SiC and the graphene matrix, enabling the construction of a highly electron transport conductive network with multi-phase heterogeneous interfaces, thereby enhancing the electromagnetic shielding efficiency. The experimental results show that SiC/CNT/RGO film shows good flexibility and high electromagnetic shielding efficiency. When the addition of SiC is 8.0 %, the average electromagnetic shielding efficiency can reach 66.1 dB, and the conductivity is 14,070 S/m.

随着电磁污染的迅速升级，人们对具有优异电磁屏蔽效果的柔性薄膜的需求日益增加。本研究采用过滤自组装的方法制备了自支撑SiC/CNT/RGO薄膜，并对其进行高温处理，通过调节SiC含量来系统地调节其电磁屏蔽性能。碳纳米管（CNT）的加入有效地桥接了碳化硅和石墨烯基体，从而构建了具有多相非均相界面的高电子输运导电网络，从而提高了电磁屏蔽效率。实验结果表明，SiC/CNT/RGO薄膜具有良好的柔韧性和较高的电磁屏蔽效率。当SiC添加量为8.0%时，平均电磁屏蔽效率可达66.1 dB，电导率为14070 S/m。

引用次数: 0