FlatChem最新文献_第4页

Molecular layering and CO₂ selectivity in graphene-supported natural deep eutectic solvent films: An in-silico investigation 石墨烯负载的天然深共晶溶剂膜的分子分层和CO₂选择性：硅研究

IF 6.2 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2026-01-01 Epub Date: 2026-01-09 DOI: 10.1016/j.flatc.2026.100995

Sara Rozas , Nuria Aguilar , Pedro A. Marcos , Alfredo Bol , Santiago Aparicio

A multiscale computational study was conducted to investigate graphene-supported thin films composed of a natural deep eutectic solvent (NADES) formed by menthol and decanoic acid (MENTH:DA), with a focus on applications in sustainable CO₂ capture. Density functional theory (DFT) and molecular dynamics (MD) simulations were employed to elucidate interfacial structuring, molecular interactions, and gas adsorption behavior. DFT results indicated a strong interaction between decanoic acid and the graphene surface (−35.88 kJ/mol), characterized by a parallel orientation that maximizes van der Waals interactions. In contrast, menthol displayed weaker adsorption energies (−5.15 kJ/mol) and a predominantly perpendicular orientation. MD simulations revealed the formation of distinct adsorption layers, with decanoic acid enriched in the first layer and menthol in the second, while the NADES hydrogen-bonding network remained largely intact. CO₂ exhibited preferential adsorption over flue gas components (N₂, H₂O, O₂), with substantial accumulation in both the first and second interfacial layers. Approximately 50% of the CO₂ content from flue gas mixtures was retained within the structured region. Adsorption performance was found to be largely independent of temperature (303−323K) and NADES film thickness (20–50 Å). These results provide fundamental insight into NADES–graphene interactions and highlight the potential of type V, naturally derived deep eutectic solvents as selective and environmentally benign materials for CO₂ separation technologies.

采用多尺度计算研究了由薄荷醇和癸酸（MENTH:DA）形成的天然深度共晶溶剂（NADES）组成的石墨烯负载薄膜，重点研究了其在可持续二氧化碳捕集中的应用。采用密度泛函理论（DFT）和分子动力学（MD）模拟来阐明界面结构、分子相互作用和气体吸附行为。DFT结果表明，癸酸与石墨烯表面之间存在强烈的相互作用（- 35.88 kJ/mol），其特征是平行取向最大化了范德华相互作用。相比之下，薄荷醇的吸附能较弱（- 5.15 kJ/mol），且以垂直取向为主。MD模拟显示形成了不同的吸附层，第一层富集癸酸，第二层富集薄荷醇，而NADES的氢键网络基本保持完整。CO₂对烟气组分（N₂，H₂O, O₂）表现出优先吸附，在第一和第二界面层都有大量积累。烟气混合物中约50%的CO₂含量保留在结构区域内。吸附性能在很大程度上与温度（303−323K）和NADES膜厚度（20-50 Å）无关。这些结果为nades -石墨烯相互作用提供了基本的见解，并突出了V型，自然衍生的深度共晶溶剂作为CO₂分离技术的选择性和环保材料的潜力。

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引用次数: 0

Titanium carbide MXene-supported gold nanoparticles and exfoliated graphite nanoplatelets: A multifunctional platform for electrochemical sensing 碳化钛mxene支持的金纳米颗粒和脱落石墨纳米片：电化学传感的多功能平台

IF 6.2 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2026-01-01 Epub Date: 2026-01-13 DOI: 10.1016/j.flatc.2026.100997

Nathalia Nardi , Luan Gabriel Baumgarten , Guinther Schlösser Schmitz , Juliana Priscila Dreyer , Edson Roberto Santana , João Paulo Winiarski , Almir Spinelli , Iolanda Cruz Vieira

A novel ternary nanocomposite was rationally engineered by integrating the polar functional groups and support from titanium carbide MXene (Ti₃C₂T_x), the high surface area of gold nanoparticles (AuNPs), and the electrical conductivity of exfoliated graphite nanoplatelets (xGnP). Ti₃C₂T_x acted simultaneously as a reducing and stabilizing agent for the in-situ synthesis of AuNPs, yielding AuNPs-Ti₃C₂T_x hybrids that promoted homogeneous dispersion of xGnP. The resulting xGnP-AuNPs-Ti₃C₂T_x nanocomposite exhibited an enlarged electroactive surface area and enhanced electron transfer. Characterization techniques such as UV–Vis and XPS spectroscopies, TEM and XRD confirmed its successful assembly and elucidated the chemical interactions among the materials. When applied to modify a glassy carbon electrode, the composite enabled highly sensitive vanillin detection over the range of 0.1–8.5 μmol L⁻¹ with a detection limit of 0.029 μmol L⁻¹. The advanced proposed sensor was validated in a vanilla-flavored ice cream sample, demonstrating analytical reliability and underscoring the potential of MXene-based nanocomposites as versatile platforms for electrochemical sensing.

通过整合极性官能团和碳化钛MXene （Ti3C2Tx）、金纳米颗粒（AuNPs）的高表面积和脱落石墨纳米薄片（xGnP）的导电性，合理设计了一种新型三元纳米复合材料。Ti3C2Tx同时作为原位合成AuNPs的还原剂和稳定剂，生成了促进xGnP均匀分散的AuNPs-Ti3C2Tx杂化体。得到的xGnP-AuNPs-Ti3C2Tx纳米复合材料具有较大的电活性表面积和增强的电子转移。紫外可见光谱、XPS光谱、TEM和XRD等表征技术证实了其成功组装，并阐明了材料之间的化学相互作用。当修饰玻碳电极时，该复合材料可以在0.1 ~ 8.5 μmol L−1范围内检测到高灵敏度的香兰素，检测限为0.029 μmol L−1。这种先进的传感器在香草味冰淇淋样品中得到了验证，证明了分析的可靠性，并强调了mxene纳米复合材料作为电化学传感通用平台的潜力。

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引用次数: 0

Designing two-dimensional borophene from icosahedral B12 superatoms 用二十面体B12超原子设计二维硼罗芬

IF 6.2 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2026-01-01 Epub Date: 2025-12-05 DOI: 10.1016/j.flatc.2025.100985

Zhen-Gang Cao , Xing-Yu Wang , Jun-Hui Yuan , Hao Wang , Gen-Ping Wu , Zhi-Hong Liu , Jiafu Wang

Using superatoms as fundamental building blocks to construct novel two-dimensional (2D) materials is undoubtedly a highly promising strategy. In this work, we selected the regular dodecahedral-structured B₁₂ as the basic structural unit and successfully designed and constructed two novel 2D borophenes based on first-principles calculations, named m-B₂₄ and o-B₂₄, respectively. These novel 2D borophenes exhibit remarkable kinetic stability and excellent high-temperature resistance. Both m-B₂₄ and o-B₂₄ are narrow-bandgap indirect semiconductors (1.296 eV and 0.568 eV). Carrier mobility calculations revealed that m-B₂₄ possess outstanding electron and hole mobility (∼1770 cm²V⁻¹ s⁻¹), while the electron mobility of o-B₂₄ can even up to 4.18 × 10⁴ cm²V⁻¹ s⁻¹. Additionally, alkali metals Li/Na/K exhibit low ionic migration barriers on the surfaces of m-B₂₄ and o-B₂₄. These findings not only expand the research scope of two-dimensional borophene but also unveil the immense potential of m-B₂₄ and o-B₂₄ in the field of low-dimensional materials, providing crucial theoretical foundations and practical references for future research and applications.

使用超原子作为构建新型二维（2D）材料的基本构件无疑是一种非常有前途的策略。在这项工作中，我们选择正十二面体结构的B12作为基本结构单元，基于第一性原理计算成功设计并构建了两个新的二维硼罗芬，分别命名为m-B24和o-B24。这些新型的二维硼苯具有显著的动力学稳定性和优异的耐高温性能。m-B24和o-B24均为窄带隙间接半导体（1.296 eV和0.568 eV）。载流子迁移率计算表明，m-B24具有优异的电子和空穴迁移率（~ 1770 cm2V−1 s−1），而o-B24的电子迁移率甚至可以达到4.18 × 104 cm2V−1 s−1。此外，碱金属Li/Na/K在m-B24和o-B24表面表现出较低的离子迁移垒。这些发现不仅扩大了二维硼罗芬的研究范围，而且揭示了m-B24和o-B24在低维材料领域的巨大潜力，为未来的研究和应用提供了重要的理论基础和实践参考。

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引用次数: 0

Mechanistic insights into green diesel production via CuNi LDH@Al Isopropoxide-catalyzed palm oil deoxygenation: A study using in-situ XAS and DFT 通过CuNi生产绿色柴油的机理研究LDH@Al异丙醇催化棕榈油脱氧：原位XAS和DFT研究

IF 6.2 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2026-01-01 Epub Date: 2025-11-24 DOI: 10.1016/j.flatc.2025.100973

Naeemah A. Ibrahim , Thaer Abdull-Aali Jwaid , Laith K. Obeas , G. Abdulkareem-Alsultan , N. Asikin-Mijan , Salma Samidin , N. Asma-Samsudin , Maadh Fawzi Nassar , H.V. Lee , Yun Hin Taufiq-Yap , Dai-Viet N. Vo , Kiman Silas

The catalysts that were prepared by combining Cu and Ni into the LDH structure had a higher concentration of both Cu and Ni than the catalysts with lower concentrations of Cu and Ni. Because they have more available surface area, this increases the amount of surface area available for chemical reactions. In addition, based on the catalyst's density of acid and base sites (both of which are important for the deoxygenation of oils), Cu₍_1%₎Ni₍_6%₎LDH@Al was determined to be the most effective catalyst. It has a very large density of acid sites (3.701 mmol/g) and a relatively small density of base sites (0.332 mmol/g). As such, it was able to achieve a hydrocarbon yield of 77.72 %, and an n-C₁₇ yield of 92.55 %. In addition, the authors demonstrated through in-situ XAS measurements made during the course of a reaction, that there were significant changes to the coordination geometry of both Cu and Ni. Specifically, the authors found that the presence of Cu increased the structural integrity of the Ni-containing component of the catalyst. Additionally, DFT studies were conducted to evaluate the likelihood of the simultaneous occurrence of hydrogenation/dehydrogenation processes occurring on the catalyst surface. Through these studies, the authors found that hydroxyl groups on the catalyst surface, generated by the reduction of nickel, facilitate the formation of oxygen vacancies and promote the occurrence of both decarboxylation (DCO₂) and decarbonylation (DCO) pathways. The ability of the NiCu hetero-structure to undergo simultaneous hydrogenation/dehydrogenation processes indicates its potential for the creation of green diesel without the need for an external hydrogen source.

将Cu和Ni结合到LDH结构中制备的催化剂的Cu和Ni浓度均高于低浓度Cu和Ni的催化剂。因为它们有更大的可用表面积，这就增加了化学反应的可用表面积。此外，根据催化剂的酸碱位密度（两者对油的脱氧都很重要），确定Cu(1%)Ni(6%)LDH@Al是最有效的催化剂。它具有非常大的酸位点密度（3.701 mmol/g）和相对较小的碱基位点密度（0.332 mmol/g）。因此，它能够实现77.72%的烃收率和92.55%的n-C17收率。此外，作者通过在反应过程中进行的原位XAS测量证明，Cu和Ni的配位几何都发生了重大变化。具体来说，作者发现Cu的存在增加了催化剂中含ni组分的结构完整性。此外，还进行了DFT研究，以评估催化剂表面同时发生加氢/脱氢过程的可能性。通过这些研究，作者发现镍还原在催化剂表面产生的羟基有利于氧空位的形成，促进脱羧（DCO2）和脱羰基（DCO）两种途径的发生。NiCu异质结构同时进行加氢/脱氢过程的能力表明，它有可能在不需要外部氢源的情况下制造绿色柴油。

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引用次数: 0

Electrocatalytic and Li-ion storage performance of binder-free Co(MnFeNiCuZn)P/copper foam electrodes 无粘结剂Co(MnFeNiCuZn)P/铜泡沫电极的电催化和锂离子存储性能

IF 6.2 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-11-01 Epub Date: 2025-11-24 DOI: 10.1016/j.flatc.2025.100975

M.H. Sepahdar , S.M. Masoudpanah , B. Aslibeiki , T. Sarkar

Electrocatalysts and lithium-ion batteries (LIBs) have emerged as leading solutions for renewable energy conversion and storage. Layered multiple hydroxides (LMHs), commonly used as 2D precursors in the synthesis of transition metal phosphides (TMPs) because of their high electrical conductivity, have garnered considerable attention for their potential in various charge storage devices. This is due to their exceptional electrochemical characteristics and cost-effectiveness. A binder-free CoM LMH (M = Mn, Fe, Ni, Cu, Zn) electrode was synthesized on copper foam (CF) substrates using a one-step hydrothermal method and subsequently phosphidated via chemical vapor deposition (CVD). The CoMP/CF electrode showed the lowest overpotentials of 210 mV for the hydrogen evolution reaction (HER) and 355 mV for the oxygen evolution reaction (OER) at a current density of 10 mA cm⁻². Additionally, the CoM LMH/CF electrode was tested in a simulated seawater electrolyte, exhibiting low overpotentials of 265 mV for HER and 428 mV for OER at a current density of 10 mA cm⁻². The CoMP/CF electrode also showcased a high capacity of 4028 mAh g⁻¹ at 0.05 A g⁻¹, maintaining 81 % capacity retention and a coulombic efficiency of 99.8 % after 1860 cycles.

电催化剂和锂离子电池（LIBs）已成为可再生能源转换和存储的主要解决方案。层状多氢氧化物（LMHs）由于其高导电性，通常被用作合成过渡金属磷化物（TMPs）的二维前体，在各种电荷存储器件中具有很大的潜力，引起了人们的广泛关注。这是由于它们卓越的电化学特性和成本效益。采用一步水热法在泡沫铜（CF）衬底上合成了无粘结剂的CoM LMH （M = Mn, Fe, Ni, Cu, Zn）电极，并通过化学气相沉积（CVD）进行了磷化处理。CoMP/CF电极在电流密度为10 mA cm−2时，析氢反应（HER）的过电位最低为210 mV，析氧反应（OER）的过电位最低为355 mV。此外，CoM LMH/CF电极在模拟海水电解质中进行了测试，在电流密度为10 mA cm - 2时，HER和OER的过电位分别为265 mV和428 mV。CoMP/CF电极在0.05 a g−1下也显示出4028 mAh g−1的高容量，在1860次循环后保持81%的容量保留率和99.8%的库仑效率。

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引用次数: 0

Hydrothermal synthesis of CuO-MoS₂ nanoparticles with enhanced biocompatibility and antibacterial activity 水热合成具有增强生物相容性和抗菌活性的CuO-MoS纳米颗粒

IF 6.2 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-11-01 Epub Date: 2025-10-16 DOI: 10.1016/j.flatc.2025.100956

Gopinath Kasi , Sarinthip Thanakkasaranee , Arumugam Ayyakannu , Ramar Dharmaraj , Kittisak Jantanasakulwong , Rangsan Panyathip , Nuttapol Tanadchangsaeng , Pornchai Rachtanapun

This study investigates the hydrothermal synthesis of copper oxide (CuO), molybdenum disulfide (MoS₂), and CuO-MoS₂ nanoparticles (NPs), assessing their antibacterial activity and biocompatibility. The integration of CuO with MoS₂ NPs was strategically designed to reduce the inherent cytotoxicity of CuO NPs, while simultaneously enhancing the antibacterial efficacy of MoS₂ NPs. Different concentrations of copper nitrate (5, 10, 15, and 20 %wt) were added to MoS₂ NPs via hydrothermal synthesis, and calcined at 350 °C for 2 h without an inert gas atmosphere. As a result, the 20 %-CuO-MoS₂ exhibited crystallinity and structural stability. Cytocompatibility assays on macrophage cells were conducted to examine each sample, revealing the non-toxicity with the hormesis effect. 20 %-CuO-MoS₂ NPs at 10 μg/mL demonstrated a nine-fold increase in cell viability compared to CuO NPs. Both AO/EtBr and Hoechst 33342 results confirmed that CuO-MoS₂ NPs exhibited better cytocompatibility than CuO NPs. Regarding antibacterial activity, CuO, MoS₂ and CuO-MoS₂ NPs were evaluated against Gram-positive (Bacillus megaterium, Staphylococcus aureus) and Gram-negative (Escherichia coli, Klebsiella pneumoniae) bacterial strains. These antibacterial activity results demonstrated the increased inhibition zones in CuO-MoS₂ NPs, enhancing antibacterial activity via reactive oxygen species production. Therefore, these findings of CuO-MoS₂ NPs demonstrate dual-functional properties, consisting of antibacterial activity and biocompatibility improvement for biomedical applications.

本研究研究了水热合成氧化铜（CuO）、二硫化钼（MoS2）和CuO-MoS2纳米颗粒（NPs），并评估了它们的抗菌活性和生物相容性。CuO与MoS₂NPs的整合旨在降低CuO NPs固有的细胞毒性，同时增强MoS₂NPs的抗菌功效。在水热合成的MoS₂NPs中加入不同浓度的硝酸铜（5、10、15和20% wt），在350℃下无惰性气体气氛下煅烧2 h。结果表明，20% -CuO-MoS2具有良好的结晶性和结构稳定性。对每个样品进行巨噬细胞的细胞相容性试验，显示其无毒且具有激效作用。10 μg/mL的20% -CuO-MoS 2 NPs与CuO NPs相比，细胞活力提高了9倍。AO/EtBr和Hoechst 33342结果均证实CuO- mos2 NPs比CuO NPs具有更好的细胞相容性。CuO、MoS 2和CuO-MoS 2 NPs对革兰氏阳性菌株（巨芽孢杆菌、金黄色葡萄球菌）和革兰氏阴性菌株（大肠杆菌、肺炎克雷伯菌）的抑菌活性进行了评价。这些抗菌活性结果表明，CuO-MoS 2 NPs的抑制区增加，通过活性氧的产生增强了抗菌活性。因此，这些发现表明CuO-MoS 2 NPs具有双重功能，包括抗菌活性和生物相容性的改善，可用于生物医学应用。

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引用次数: 0

First principles and neural network-driven biochar spectral database: Raman, XPS, IR, and NMR 第一原理和神经网络驱动的生物炭光谱数据库：拉曼，XPS，红外和核磁共振

IF 6.2 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-11-01 Epub Date: 2025-10-19 DOI: 10.1016/j.flatc.2025.100960

Valentina Sierra-Jimenez , Farid Chejne , Manuel Garcia-Perez

This study integrates density functional theory and neural network algorithms to predict the spectra of 32 representative molecular structures identified in biochar. This approach addresses computational challenges in biochar molecular modeling and results in the generation of a spectral database covering X-ray photoelectron spectroscopy (XPS) (C 1 s, O 1 s, and N 1 s), Raman and infrared (IR) spectroscopy, ¹H and ¹³C nuclear magnetic resonance (NMR), and 2D NMR. The spectra of independent molecules were then aggregated to describe the spectrum of cellulose char produced at 500 °C. Integrating first-principles predictions with machine-learning techniques establishes a connection between the atomic structures of biochar and their corresponding spectroscopic signatures. This work also expands the reliability of experimental data interpretation, providing a robust framework for atomic-level modeling and characterization. The theoretical spectra strongly aligned with experimental data, achieving >90 % agreement for ¹³C NMR and XPS and > 77 % correspondence for IR and Raman spectroscopy. These results demonstrate the enhanced predictive power of theoretical spectra derived from accurate molecular structures. The spectral database and atomistic structures lay the foundation for future research, providing opportunities to develop machine-learning algorithms that can effectively predict theoretical spectra. Furthermore, this approach facilitates the generation of spectra that would otherwise be costly or difficult to obtain experimental.

本研究将密度泛函理论与神经网络算法相结合，预测了生物炭中32种代表性分子结构的光谱。该方法解决了生物炭分子建模中的计算挑战，并生成了一个光谱数据库，涵盖x射线光电子能谱（XPS）（c1s， o1s和n1s），拉曼和红外（IR）光谱，1H和13C核磁共振（NMR）以及2D核磁共振。然后将独立分子的光谱聚合在一起，以描述在500°C下产生的纤维素炭的光谱。将第一性原理预测与机器学习技术相结合，在生物炭的原子结构与其相应的光谱特征之间建立了联系。这项工作还扩展了实验数据解释的可靠性，为原子级建模和表征提供了一个强大的框架。理论光谱与实验数据高度一致，13C核磁共振和XPS达到90%的一致性，红外和拉曼光谱达到77%的一致性。这些结果表明，由精确分子结构推导出的理论光谱具有较强的预测能力。光谱数据库和原子结构为未来的研究奠定了基础，为开发能够有效预测理论光谱的机器学习算法提供了机会。此外，这种方法有助于产生光谱，否则将是昂贵的或难以获得实验。

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引用次数: 0

Graphene-based adsorbents for selective recovery of rare earth elements from mining wastes: A review 石墨烯基吸附剂对矿山废弃物中稀土元素的选择性回收研究进展

IF 6.2 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-11-01 Epub Date: 2025-10-14 DOI: 10.1016/j.flatc.2025.100954

Noel I. Kaaya , Maheswara R. Vegi , Athanas S. Macheyeki

The global demand for rare earth elements (REEs) is steadily increasing due to their essential role in green energy technologies, advanced electronics, medical applications, and defense systems. This rising demand has created a supply–demand imbalance, encouraging the search for alternative sources and cost-effective recovery methods, especially from secondary resources such as mining wastes. However, recovering REEs from mine effluents remains challenging due to their complex chemical nature, including high ionic strength and extreme pH levels, which limit the effectiveness of conventional adsorbents.

This review assesses the economic potential of REE recovery from mining wastes. It explores recent advancements in graphene-based adsorbents for REE recovery. A review of 31 studies published between 2015 and 2025 indicates that mining wastes have an average outlook coefficient (C_outl) of 0.91 and a critical REE percent of 33.12, showing strong potential for economic recovery, particularly from coal and metal mining residues. Graphene-based adsorbents offer promising features, including high surface area, adjustable surface properties, mechanical strength, and reusability. Improvements in graphene, such as functionalization with biomolecules, the development of three-dimensional structures, and magnetization, have further increased its adsorption capacity and durability. However, achieving high selectivity for individual REEs remains a key challenge.

Ion imprinting presents a potential solution by enabling the design of specific recognition sites that enhance selectivity and binding efficiency. Combining this approach with advanced material design can lead to next-generation graphene-based adsorbents, supporting efficient REE recovery from mining wastes and contributing to sustainable resource management and circular economy goals.

由于稀土元素在绿色能源技术、先进电子、医疗应用和国防系统中的重要作用，全球对稀土元素（ree）的需求正在稳步增长。这种不断增加的需求造成了供需不平衡，鼓励寻找替代来源和具有成本效益的回收方法，特别是从采矿废料等二次资源中。然而，从矿山废水中回收稀土元素仍然具有挑战性，因为它们具有复杂的化学性质，包括高离子强度和极端pH值，这限制了传统吸附剂的有效性。本文评价了从采矿废物中回收稀土元素的经济潜力。它探讨了石墨烯基吸附剂用于稀土回收的最新进展。对2015年至2025年间发表的31项研究的回顾表明，采矿废物的平均前景系数（Coutl）为0.91，临界REE百分比为33.12，显示出强劲的经济复苏潜力，特别是煤炭和金属采矿残留物。石墨烯吸附剂具有高表面积、可调表面性能、机械强度和可重复使用等优点。石墨烯的改进，如生物分子功能化、三维结构的发展和磁化，进一步提高了其吸附能力和耐用性。然而，实现对单个稀土元素的高选择性仍然是一个关键的挑战。离子印迹提供了一个潜在的解决方案，使设计特定的识别位点，提高选择性和结合效率。将这种方法与先进的材料设计相结合，可以产生下一代石墨烯吸附剂，支持从采矿废物中有效回收稀土元素，并有助于可持续资源管理和循环经济目标。

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引用次数: 0

In-situ synthesis of RGO/Fe3O4 nanocomposites: Optimizing electromagnetic interference shielding properties 原位合成氧化石墨烯/Fe3O4纳米复合材料：优化电磁干扰屏蔽性能

IF 6.2 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-11-01 Epub Date: 2025-10-04 DOI: 10.1016/j.flatc.2025.100949

Bing Wei , Changyu Liu , Fan Feng , Yupei Li , Qingwen Qu , Ailian Liu , Xinming Gao , Huizhu Xu , Jue Wang

Addressing escalating electromagnetic radiation pollution, this research emphasizes the development of advanced materials with enhanced electromagnetic interference (EMI) shielding properties. In this study, reduced graphene oxide/Fe₃O₄ (RGO/Fe₃O₄) nanocomposites are synthesized via a one-step in-situ method. During the synthesis process, graphene oxide (GO) is reduced into reduced graphene oxide (RGO) by Fe²⁺ ions, while Fe₃O₄ nanoparticles are concurrently formed on the RGO surface, yielding the nanocomposite in a single reaction. Adjustments in Fe²⁺ concentration facilitate precise control over the RGO-to-Fe₃O₄ mass ratio, enabling tailored modulation of the EMI shielding efficacy in the resultant nanocomposites. EMI shielding is achieved through synergistic mechanisms, including superior dielectric loss properties of RGO, intrinsic magnetic loss characteristics of Fe₃O₄ and interfacial polarization loss at the RGO-Fe₃O₄ junction. Comparative analysis reveals optimal performance of the RGO/Fe₃O₄ when the GO-to-FeCl₂·4H₂O mass ratio is set to 1:15, achieving average total shielding effectiveness (SE_T) values of 89.8 dB.

针对不断升级的电磁辐射污染，本研究强调开发具有增强电磁干扰（EMI）屏蔽性能的先进材料。在本研究中，通过一步原位法合成了还原氧化石墨烯/Fe3O4 （RGO/Fe3O4）纳米复合材料。在合成过程中，氧化石墨烯（GO）被Fe2+离子还原为还原性氧化石墨烯（RGO），而氧化石墨烯表面同时形成Fe3O4纳米颗粒，一次反应生成纳米复合材料。调整Fe2+浓度有助于精确控制rgo与fe3o4的质量比，从而使合成的纳米复合材料能够定制调制EMI屏蔽效能。电磁干扰屏蔽是通过协同机制实现的，包括RGO优越的介电损耗特性、Fe3O4的固有磁损耗特性和RGO-Fe3O4结的界面极化损耗。对比分析表明，当go与fecl2·4H2O质量比为1:15时，RGO/Fe3O4性能最佳，平均总屏蔽效能（set）为89.8 dB。

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引用次数: 0

Charge-size synergistic screening of GO/PSBMA nanofiltration membranes: for dye desalination and anti-fouling mechanism studies 氧化石墨烯/PSBMA纳滤膜的电荷尺寸协同筛选：用于染料脱盐和防污机理研究

IF 6.2 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-11-01 Epub Date: 2025-09-03 DOI: 10.1016/j.flatc.2025.100928

Peng Kong, Zeshan Sun, Yibin Liang, Mingtai Xin, Haoxuan Zhang, Yu Song, Yanxin Wang, Jianguo Tang, Linjun Huang

A novel graphene oxide (GO)-based nanofiltration membrane was engineered to tackle the selective separation challenge of dyes and inorganic salts in salt-laden textile wastewater. Highly hydrophilic sulfobetaine methacrylate (SBMA) was covalently graft-polymerized onto GO surfaces to fabricate amphoteric polymer nanosheets (PSBMA@GO). Subsequent physical intercalation with pristine GO nanosheets yielded the GPM1:2 composite membrane. This strategy effectively enlarged the interlayer channels, endowing the membrane with a significantly enhanced permeability of 31.53 L·m⁻¹ h⁻¹ bar⁻¹, markedly surpassing that of the pristine GO membrane (12.26 L·m⁻¹ h⁻¹ bar⁻¹). The zwitterionic modification preserved the inherent negative charge of GO. The synergistic interplay between membrane surface charge regulation and precise pore size control achieved exceptional dye/salt separation selectivity. Dyes were selectively rejected via the Donnan exclusion effect, with rejection rates for Methylene Blue (MnB) and Congo Red (CR) exceeding 99.47 % and 98.7 %, respectively. Concurrently, efficient permeation of mono/divalent salt ions was facilitated (NaCl: 96.83 %; Na₂SO₄: 95.8 %). Furthermore, the zwitterionic polymer conferred exceptional anti-fouling properties, evidenced by a high flux recovery rate (FRR) of 89.15 % following bovine serum albumin (BSA) fouling. The FRR remained above 80 % even after a rigorous 10-h dynamic cycling test. This study establishes a novel paradigm for designing high-efficiency dye wastewater treatment membranes through the synergistic optimization of interfacial functionalization and structural modulation.

设计了一种新型氧化石墨烯（GO）纳滤膜，以解决含盐纺织废水中染料和无机盐的选择性分离问题。高度亲水性的甲基丙烯酸磺基甜菜碱（SBMA）被共价接枝到氧化石墨烯表面，以制备两性聚合物纳米片（PSBMA@GO）。随后用原始氧化石墨烯纳米片进行物理插层，得到了GPM1:2复合膜。该策略有效地扩大了层间通道，使膜的渗透率显著提高，达到31.53 L·m−1 h−1 bar−1，明显超过原始氧化石墨烯膜（12.26 L·m−1 h−1 bar−1）。两性离子修饰保留了氧化石墨烯固有的负电荷。膜表面电荷调节和精确的孔径控制之间的协同作用实现了优异的染料/盐分离选择性。对亚甲蓝（MnB）和刚果红（CR）的去除率分别超过99.47%和98.7%。同时，促进了单/二价盐离子的高效渗透（NaCl: 96.83%; Na₂SO₄：95.8%）。此外，两性离子聚合物具有优异的抗污染性能，在牛血清白蛋白（BSA）污染后的通量回收率（FRR）高达89.15%。即使经过严格的10小时动态循环测试，FRR仍保持在80%以上。本研究通过界面功能化和结构调节的协同优化，为设计高效染料废水处理膜建立了新的范式。

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引用次数: 0