FlatChem最新文献_第9页

Investigating the role of Pd-coated TiO2@g-C3N4 heterojunctions in enhancing photocatalytic NO removal 研究pd包覆TiO2@g-C3N4异质结在光催化去除NO中的作用

IF 5.9 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-06-12 DOI: 10.1016/j.flatc.2025.100898

Minh-Thuan Pham , Duyen P.H. Tran , Van Viet Pham , Phuong Hoang Nguyen , Minh-Ky Nguyen , Sakthivel Kogularasu , Le Thanh Nguyen Huynh , Yen-Yi Lee , Guo-Ping Chang-Chien , Tien-Chin Chang , Ya-Fen Wang , Sheng-Jie You

Heterostructure photocatalysts have emerged as a promising solution for efficiently removing air pollutants, leveraging their synergistic properties for enhanced photocatalytic activity. In this study, Pd/TiO₂@g-C₃N₄ heterojunction composites were synthesized via a wet impregnation method, integrating the surface plasmon resonance (SPR) effect of palladium nanoparticles (Pd NPs) to enhance visible-light photocatalysis. The Pd NPs, with an average particle size of 7.2 nm, were uniformly distributed on the TiO₂@g-C₃N₄ surface with minimal aggregation, ensuring optimal interaction within the composite. Under solar and visible-light irradiation, the 5 % Pd/TiO₂@g-C₃N₄ composites exhibited outstanding air pollutant oxidation efficiencies of 77.1 % and 67.2 %, respectively, while maintaining high stability over five recycling cycles with minimal formation of toxic byproducts. The enhanced performance was attributed to improved light absorption, narrowed bandgap, and efficient S-scheme charge transfer, with Pd NPs functioning as electron sinks to promote the generation of reactive oxygen species via the reduction process while suppressing electron–hole recombination. Mechanistic studies, supported by band structure analysis, trapping experiments, and EPR spectroscopy, revealed that photogenerated holes in TiO₂ dominate the oxidation process, while Pd facilitates charge separation and redox reactions. These results underscore the potential of SPR-enhanced heterojunction systems as robust and sustainable photocatalysts for environmental remediation.

异质结构光催化剂利用其协同特性增强光催化活性，已成为有效去除空气污染物的一种有前途的解决方案。本研究采用湿浸渍法合成Pd/TiO2@g-C3N4异质结复合材料，利用钯纳米粒子（Pd NPs）的表面等离子体共振（SPR）效应增强可见光光催化。Pd NPs平均粒径为7.2 nm，均匀分布在TiO2@g-C3N4表面，聚集最小，确保了复合材料内部的最佳相互作用。在太阳和可见光照射下，5% Pd/TiO2@g-C3N4复合材料的空气污染物氧化效率分别为77.1%和67.2%，并且在5次循环中保持较高的稳定性，产生的有毒副产物最少。这种性能的增强归因于光吸收的改善、带隙的缩小和S-scheme电荷的高效转移，Pd NPs作为电子汇促进了还原过程中活性氧的生成，同时抑制了电子-空穴的复合。在能带结构分析、俘获实验和EPR光谱的支持下，机理研究表明TiO2的光生空穴主导了氧化过程，而Pd则促进了电荷分离和氧化还原反应。这些结果强调了spr增强异质结系统作为环境修复中稳定和可持续的光催化剂的潜力。

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引用次数: 0

From charge transfer to sustainability: A multifaceted DFT approach to ionic liquid design 从电荷转移到可持续性：离子液体设计的多方面DFT方法

IF 5.9 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-06-11 DOI: 10.1016/j.flatc.2025.100899

Danish Ali , Muhammad Arif Ali , Afifa Yousuf , Hong-Liang Xu

This study employs density functional theory (DFT) at the M06-2×/6–31 + g(d,p) level to investigate the structural, electronic, and thermodynamic properties of ammonium ([AM]⁺), phosphonium ([PH]⁺), and sulfonium ([SU]⁺) ionic liquids (ILs) paired with halide ([Br]⁻, [Cl]⁻, [F]⁻) and sulfonate ([CF₃SO₃]⁻, [CH₃SO₃]⁻) anions. Frontier molecular orbital (FMO) analysis reveals [PH]⁺[Br]⁻ as the most reactive IL pair with the smallest energy gap (5.57 eV), while [SU]⁺[CF₃SO₃]⁻ exhibits the highest stability (8.58 eV). Potential energy surface (PES) scans demonstrate substantial rotational energy barriers, confirming strong cation-anion interactions. Natural bond orbital (NBO) analysis shows [PH]⁺[Br]⁻ has the highest binding energy (−530.55 kcal/mol), supported by energy decomposition analysis (EDA) indicating dominant orbital stabilization. Net population analysis (NPA) reveals significant charge transfer, with [PH]⁺[Br]⁻ displaying optimal electrostatic complementarity. Thermodynamic calculations confirm the spontaneous formation of all IL pairs. Independent gradient model based on Hirshfeld (IGMH) and quantum theory of atoms in molecules (AIM) analyses validate non-covalent interactions and thermal stability. The [PH]⁺[Br]⁻ pair exhibits exceptional orbital stabilization (E⁽²⁾ = 10.73 kcal/mol) and low rotational barriers, making it a promising candidate for catalytic applications. This comprehensive computational study provides fundamental insights into IL design, highlighting the interplay between electronic structure, charge distribution, and intermolecular interactions. The results establish a framework for developing stable, reactive ILs for green chemistry and energy applications, with [PH]⁺[Br]⁻ emerging as a particularly efficient system.

本研究采用m06 - 2x / 6-31 + g（d,p）水平的密度泛函理论（DFT）来研究铵离子液体（[AM]+）、磷离子液体（[PH]+）和磺离子液体（[SU]+）与卤化物离子（[Br]−、[Cl]−、[F]−）和磺酸盐离子（[CF₃SO₃]−、[CH₃SO₃]−）的结构、电子和热力学性质。前沿分子轨道（FMO）分析表明，[PH]+[Br]−反应性最强，能隙最小（5.57 eV），而[SU]+[CF₃SO₃]−稳定性最高（8.58 eV）。势能表面（PES）扫描显示了大量的旋转能垒，证实了强的阳离子-阴离子相互作用。自然键轨道（NBO）分析表明，[PH]+[Br]−具有最高的结合能（- 530.55 kcal/mol），能量分解分析（EDA）支持这一结论。净居群分析（NPA）显示了显著的电荷转移，[PH]+[Br]−表现出最佳的静电互补性。热力学计算证实了所有IL对的自发形成。基于Hirshfeld （IGMH）和分子中原子量子理论（AIM）的独立梯度模型分析验证了非共价相互作用和热稳定性。[PH]+[Br]−对具有优异的轨道稳定性（E(2) = 10.73 kcal/mol）和较低的旋转势垒，是催化应用的理想选择。这项全面的计算研究为IL设计提供了基本的见解，突出了电子结构，电荷分布和分子间相互作用之间的相互作用。研究结果为开发用于绿色化学和能源应用的稳定、反应性il建立了框架，其中[PH]+[Br]−成为一种特别高效的体系。

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引用次数: 0

From morphology control to photocatalytic activity: Magnetized water for the innovative and green synthesis of 2D layered BiOI and its application in the photodegradation of organic dyes using central composite design (CCD) 从形态控制到光催化活性：磁化水创新和绿色合成二维层状BiOI及其在中心复合设计（CCD）光降解有机染料中的应用

IF 5.9 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-06-10 DOI: 10.1016/j.flatc.2025.100896

Sara Abolhasani , Ali Ahmadpour , Mostafa Gholizadeh

This study explores the innovative use of ordinary water as an eco-friendly solvent magnetized by a solvent magnetizing apparatus (SMA), which is referred to as magnetized water. This magnetized water is then used as a solvent to synthesize bismuth oxyiodide (BiOI) photocatalysts. Moreover, the morphologies and photocatalytic activity of the synthesized BiOI are investigated and compared with structures obtained using ordinary water. Techniques such as XRD, FESEM, BET, UV–Vis spectroscopy, PL, photocurrent response, DRS, and EIS were used to understand the characteristics and properties of the photoactive nanostructures. By optimizing the exposure time of the magnetic field applied to the water, the morphology of BiOI structures was effectively controlled, resulting in the formation of three-dimensional flower-like nanostructures from two-dimensional nanosheets. The photocatalytic performance of BiOI was evaluated under visible light irradiation, demonstrating enhanced performance with approximately 95 % degradation for Rhodamine B (RhB) by Bi−15 and Congo Red (CR) by Bi-1 pass photocatalysts in almost 45 min. Statistical analysis using Design Expert software highlighted the significant effect of pH, irradiation time, and photocatalyst dosage on the degradation. Kinetic studies followed first-order kinetics according to the pseudo-first-order model for both RhB and CR degradation. Finally, the stability of the photocatalysts was investigated, and no significant decrease in the performance of photocatalysts was observed after five cycles. Additionally, using magnetized water can lower synthesis costs by enhancing reaction efficiency and reducing the need for expensive chemicals and energy.

本研究探索了用溶剂磁化装置（SMA）磁化普通水作为环保溶剂的创新用途，简称磁化水。然后将磁化后的水用作溶剂来合成氧化碘化铋（BiOI）光催化剂。此外，研究了合成的BiOI的形态和光催化活性，并与普通水制备的结构进行了比较。利用XRD、FESEM、BET、UV-Vis、PL、光电流响应、DRS和EIS等技术了解光活性纳米结构的特征和性质。通过优化施加于水中的磁场曝光时间，有效地控制了BiOI结构的形态，使二维纳米片形成三维花状纳米结构。在可见光照射下对BiOI的光催化性能进行了评估，结果表明，Bi- 15和光催化剂对罗丹明B （RhB）的降解率约为95%，Bi-1光催化剂对刚果红（CR）的降解率约为45分钟。使用Design Expert软件进行的统计分析突出了pH、照射时间和光催化剂用量对降解的显着影响。动力学研究遵循一阶动力学，根据准一阶模型对RhB和CR进行降解。最后，对光催化剂的稳定性进行了研究，经过5次循环后，光催化剂的性能没有明显下降。此外，使用磁化水可以通过提高反应效率和减少对昂贵的化学品和能源的需求来降低合成成本。

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引用次数: 0

Tailored nanoarchitectonics of PPy/g-C3N4/MnO2 hybrid on NiCo LDH for enhanced energy storage in supercapacitors 在NiCo LDH上定制PPy/g-C3N4/MnO2杂化材料的纳米结构，用于增强超级电容器的能量存储

IF 5.9 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-06-10 DOI: 10.1016/j.flatc.2025.100897

Hariprasath Rangaraju , Priyadharshini Matheswaran , Pin-Yi Chen , Nirmal Kumar Sakthivel , Krishnamoorthy Shanmugaraj , Pazhanivel Thangavelu , Mani Govindasamy

The growing demand for efficient energy storage devices holding high specific energy has accelerated the search for advanced electrode materials. Transition metal-based layered double hydroxides (LDHs), particularly those containing nickel (Ni) and cobalt (Co), have emerged as promising candidates due to their tunable layered structure and chemical composition. In this study, LDH and its hybrids were prepared using a simple hydrothermal technique. In addition, X-ray diffraction (XRD) measurements approve the presence of H₂O molecules and carbonate anions in the interlamellar space due to their extended interlayer spacing. The quaternary NiCo LDH/manganese dioxide (MnO₂)/polypyrrole (PPy)/graphitic carbon nitride (g-C₃N₄) hybrid nanocomposite exhibits a specific capacitance of 2389 F/g at 1 A/g, with 88 % retention after 5000 cycles at a higher current density of 10 A/g. The superior electrochemical performance is accredited to reduced aggregation and enhanced electronic conductivity. Charge storage kinetics were analysed using Dunn's method and power law, reveals increased diffusive contribution in the quaternary nanocomposite. A hybrid supercapacitor device was fabricated using quaternary hybrid as cathode and activated carbon (AC) as anode delivers a high specific capacitance of 260 F/g at 1 A/g, with 95 % cyclic stability after 10,000 cycles. The assembled device achieves a specific energy of 82 Wh/kg at a specific power of 750 W/kg and a coulombic efficiency of 99 %, demonstrating excellent potential for energy storage applications.

对高比能高效储能装置的需求不断增长，加速了对先进电极材料的探索。过渡金属基层状双氢氧化物（LDHs），特别是那些含有镍（Ni）和钴（Co）的，由于其可调节的层状结构和化学成分，已成为有希望的候选者。本研究采用简单的水热法制备了LDH及其杂化物。此外，x射线衍射（XRD）测量证实，由于层间间距扩大，层间空间中存在H2O分子和碳酸盐阴离子。四元NiCo LDH/二氧化锰（MnO₂）/聚吡啶(PPy)/石墨氮化碳（g- c₃N₄）杂化纳米复合材料在1 a /g电流下的比电容为2389 F/g，在10 a /g高电流密度下循环5000次后保持率为88%。优异的电化学性能被认为是减少聚集和提高电子导电性。利用Dunn方法和幂律分析了电荷存储动力学，揭示了四元纳米复合材料的扩散贡献增加。以四元杂化材料为阴极，活性炭（AC）为阳极，制备了一种混合超级电容器器件，在1 A/g下具有260 F/g的高比电容，在10,000次循环后具有95%的循环稳定性。该装置在750 W/kg的比功率下实现82 Wh/kg的比能量，库仑效率达到99%，显示出储能应用的良好潜力。

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引用次数: 0

Enhancement of electrochemical properties of NiAl-LDH@NiCoSe2 nanocomposite for asymmetric supercapacitor application 增强NiAl-LDH@NiCoSe2纳米复合材料在不对称超级电容器中的电化学性能

IF 5.9 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-06-06 DOI: 10.1016/j.flatc.2025.100894

Huda Fazal , Iftikhar Hussain Gul , Marghoob Ahmed , Rajab Hussain , Ghulam Ali

Innovative energy storage solutions such as supercapacitors (SCs) have been developed to meet the increasing energy demands of the modern world. Hybrid metal chalcogenides have drawn significant interest as electrode active materials for supercapacitors, owing to their layered structure, substantial redox chemistry, fast ion diffusion properties, and versatile morphology. In this study, the NiCoSe₂ nanoparticles hybrid nanocomposites were synthesized with variations of NiAl-LDH nanosheets using the hydrothermal method. NAL@NCS hybrid nanocomposite grown on a Ni-foam exhibited a high specific capacitance of 1092 F g⁻¹ at the current density of 0.5 A g⁻¹. In addition, the NAL@NCS was used as a positive electrode with activated carbon (AC) as a negative electrode to assemble the asymmetric supercapacitor device. Due to the synergetic effect, the NAL@NCS||AC device exhibited a specific capacitance of 674 F g⁻¹ at the current density of 1 A g⁻¹, had an energy density of 304 W h Kg⁻¹ at the power density of 3.42 kW Kg⁻¹ and exceptional stability of 82 % retention after 10,000 cycles at a current density of 30 A g⁻¹. This was mainly due to increased electrochemical surface area and sufficient electron transfer rate in NAL@NCS nanocomposite. This study indicates that the prepared NAL@NCS hybrid nanocomposite is a promising candidate for the supercapacitor practical application.

为了满足现代世界日益增长的能源需求，已经开发出诸如超级电容器（SCs）之类的创新储能解决方案。杂化金属硫族化合物由于其层状结构、丰富的氧化还原化学性质、快速离子扩散特性和多样的形态，作为超级电容器的电极活性材料引起了人们的极大兴趣。在本研究中，采用水热法合成了NiCoSe2纳米颗粒杂化纳米复合材料。NAL@NCS在泡沫镍上生长的杂化纳米复合材料在0.5 a g−1电流密度下具有1092 F g−1的高比电容。此外，以NAL@NCS为正极，活性炭（AC）为负极，组装了不对称超级电容器器件。由于协同效应，NAL@NCS||交流器件在电流密度为1 a g−1时的比电容为674 F g−1，在功率密度为3.42 kW Kg−1时的能量密度为304 W h Kg−1，在电流密度为30 a g−1的情况下，在10,000次循环后保持82%的优异稳定性。这主要是由于NAL@NCS纳米复合材料增加了电化学表面积和足够的电子传递速率。研究表明，制备的NAL@NCS杂化纳米复合材料在超级电容器的实际应用中具有良好的前景。

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引用次数: 0

Ionic liquid-aided liquid phase exfoliation of graphene and improved electric and electromagnetic properties of PLA/EVA/graphene composites 离子液体辅助石墨烯液相剥离及改善PLA/EVA/石墨烯复合材料的电、电磁性能

IF 5.9 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-06-05 DOI: 10.1016/j.flatc.2025.100893

Alessandra de A.P. Gabino , Bluma G. Soares , Elaine F. da Silva

The dispersion of carbonaceous fillers in polymeric matrices presents a significant challenge due to the difference in surface energy between fillers and the polymers. In this study, a straightforward and cost-effective method was employed to exfoliate graphene nanoplatelets (GNP) in water using the liquid phase exfoliation (LPE) technique, with ionic liquids (ILs) serving as surfactants. The treated graphene was subsequently incorporated into PLA/EVA (60:40 wt%) composites, which were evaluated for their rheological and alternating current (AC) electrical properties, as well as their electromagnetic absorptivity in the X and Ku Band (8.2 to 18 GHz). Raman spectroscopy confirmed modifications in the GNP structure, indicating successful exfoliation. Fourier-transform infrared (FTIR) spectroscopy and thermogravimetric analysis (TGA) revealed that a portion of IL adhered to the GNP particles and was thus incorporated into the polymeric composites. The synthesized imidazole sultone-based IL promoted more intense exfoliation and particle fragmentation, leading to a reduction of electrical conductivity and electromagnetic absorptivity of the composite. In contrast, commercial IL, bmim.BF₄, not only enhanced GNP dispersion but also influenced the morphology of the PLA/EVA composite, improving the continuity of EVA phase. This modification significantly lowered the composite's electrical percolation threshold and endowed the material with outstanding electromagnetic absorptivity properties, achieving a reflection loss (RL) below −30 dB and an effective absorption bandwidth (EAB) of 3.67 GHz, covering nearly the entire Ku-band frequency range, with only 5.0 wt% of treated GNP. This study provides novel insights into GNP exfoliation techniques utilizing environmentally friendly solvent and surfactants, and the fabrication of partially biodegradable polymeric composites for electromagnetic absorption applications, such as packaging in electronic devices.

由于填料和聚合物之间表面能的差异，碳质填料在聚合物基体中的分散提出了一个重大的挑战。在这项研究中，采用了一种简单而经济的方法，使用液相剥离（LPE）技术，以离子液体（ILs）作为表面活性剂，在水中剥离石墨烯纳米片（GNP）。随后，将处理过的石墨烯掺入PLA/EVA （60:40 wt%）复合材料中，评估其流变学和交流（AC）电性能，以及X和Ku波段（8.2至18 GHz）的电磁吸收率。拉曼光谱证实了GNP结构的改变，表明剥离成功。傅里叶变换红外光谱（FTIR）和热重分析（TGA）表明，一部分IL粘附在GNP颗粒上，从而被纳入聚合物复合材料中。合成的咪唑磺胺基IL促进了更强烈的剥落和颗粒破碎，导致复合材料的电导率和电磁吸收率降低。相比之下，商业IL， bmim。BF4不仅增强了GNP的分散性，而且影响了PLA/EVA复合材料的形貌，提高了EVA相的连续性。这种改性显著降低了复合材料的电渗透阈值，并赋予材料出色的电磁吸收性能，实现了反射损耗（RL）低于- 30 dB，有效吸收带宽（EAB）为3.67 GHz，覆盖了几乎整个ku波段频率范围，仅占处理GNP的5.0 wt%。这项研究为利用环境友好型溶剂和表面活性剂的GNP剥离技术提供了新的见解，并为电磁吸收应用（如电子设备包装）制造了部分可生物降解的聚合物复合材料。

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引用次数: 0

Effective photostability improvements of rhodamine 6G film via antioxidant addition 通过添加抗氧化剂有效改善罗丹明6G薄膜的光稳定性

IF 5.9 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-05-29 DOI: 10.1016/j.flatc.2025.100892

Hanyu Liu , Mingcai Xie , Jinling Ma , Zhihong Wei , Daocheng Hong , Yuxi Tian

Photostability is a crucial parameter of fluorescent dyes for their applications as probes, sensors, and labels. However, most dyes face a significant challenge of photobleaching under continuous light excitation in the format of film. In this study, we discovered that the photostability of Rhodamine 6G films can be significantly enhanced by the addition of ascorbic acid (AA). Such improvement of photostability by AA is also proved to be effective at single molecule level. We attributed the photostability improvement to the efficient elimination of the triplet state and free radicals of Rh-6G by AA via electron transfer, allowing for rapid recovery to the fluorescent state, and reduce the probability to react with oxygen. This finding not only offers an effective strategy for improving the photostability of fluorescent dyes with potential applications in molecular devices, but also enhances our understanding of the underlying photophysical and photochemical mechanisms.

光稳定性是荧光染料用作探针、传感器和标签的关键参数。然而，大多数染料都面临着在连续光激发下以胶片形式进行光漂白的重大挑战。在本研究中，我们发现加入抗坏血酸（AA）可以显著增强罗丹明6G薄膜的光稳定性。AA对光稳定性的改善在单分子水平上也被证明是有效的。我们将光稳定性的提高归因于AA通过电子转移有效地消除了Rh-6G的三重态和自由基，使其能够快速恢复到荧光状态，并降低了与氧反应的概率。这一发现不仅为提高荧光染料在分子器件中的光稳定性提供了有效的策略，而且增强了我们对潜在的光物理和光化学机制的理解。

引用次数: 0

Ultra-large memory window for non-volatile memory based on ReS2/hBN/Multilayer Graphene heterojunction 基于ReS2/hBN/多层石墨烯异质结的非易失性存储器超大存储窗口

IF 5.9 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-05-27 DOI: 10.1016/j.flatc.2025.100886

Jiawang You , Wenxiang Wang , Xiaohuan Li , Yushi Xu , Jinjin He , Han Mao , Zheng Wei , Lianfeng Sun , Xiaoqing Chen , Yong Jun Li , Zheng Liu , Hang Wei , Mei Xue

With the rapid advancement of technology and the exponential growth of big data, the demand for high-performance memory devices intensifies. Non-volatile memories based on van der Waals materials garner significant attention due to their superior data retention and long-term storage capabilities. However, current floating-gate (FG) memories typically exhibit a memory window of less than 60 %, which limits data storage stability and device lifespan. Therefore, developing non-volatile FG memories with larger memory windows is crucial for modern digital technologies. In this work, we fabricate a non-volatile FG memory device based on a rhenium disulfide (ReS₂)/hexagonal boron nitride (hBN)/multilayer graphene (MLG) heterostructure, ReS₂ serves as the channel material, hBN acts as the tunneling dielectric, and multilayer graphene functions as the floating gate. Due to the high carrier mobility of ReS₂ and the excellent charge storage and release capabilities of graphene, the device demonstrates a high on/off ratio (10⁶) and outstanding long-term data retention (>1000 s). It also exhibits low programming current and the potential for multi-level storage applications. Most notably, the device achieves a significant memory window of 85.5 %, enabling enhanced charge storage capacity and improved stability. This performance is attributed to the effective charge injection and retention enabled by Fowler–Nordheim tunneling through the hBN tunneling barrier These exceptional properties support the realization of efficient and stable data storage, which paves the way for developing next-generation memory technologies.

随着科技的飞速发展和大数据的指数级增长，对高性能存储设备的需求日益增加。基于范德华材料的非易失性存储器因其优越的数据保留和长期存储能力而备受关注。然而，当前的浮动门（FG）存储器通常表现出小于60%的内存窗口，这限制了数据存储的稳定性和设备的使用寿命。因此，开发具有更大存储窗口的非易失性FG存储器对于现代数字技术至关重要。在这项工作中，我们制作了一种基于二硫化铼(ReS2)/六方氮化硼(hBN)/多层石墨烯（MLG）异质结构的非易失性FG存储器件，ReS2作为通道材料，hBN作为隧道介质，多层石墨烯作为浮栅。由于ReS2的高载流子迁移率和石墨烯优异的电荷存储和释放能力，该器件具有高开/关比（106）和出色的长期数据保留（>1000 s）。它还具有低编程电流和多层次存储应用的潜力。最值得注意的是，该设备实现了85.5%的显著内存窗口，从而增强了电荷存储容量并提高了稳定性。这种性能归功于Fowler-Nordheim通过hBN隧道势垒实现的有效电荷注入和保持。这些卓越的特性支持实现高效稳定的数据存储，为开发下一代存储技术铺平了道路。

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引用次数: 0

Novel 2D/3D BiOBr/TiO2 S-scheme heterostructures photocatalyst fabrication for remarkable ciprofloxacin degradation under solar light 新型2D/3D BiOBr/TiO2 S-scheme异质结构光催化剂的制备，在太阳光下显著降解环丙沙星

IF 5.9 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-05-26 DOI: 10.1016/j.flatc.2025.100891

Mohd. Shkir, Atif Mossad Ali

The creation of sophisticated S-scheme heterojunction photocatalysts presents a pioneering approach to enhance pollutant degradation through improved charge separation and light absorption. This study introduces a novel 2D/3D BiOBr/TiO₂ S-scheme heterojunction photocatalyst designed to elevate the degradation efficiency of ciprofloxacin (CIP), an antibiotic contaminant, when exposed to natural sunlight. Characterization of the structure and morphology confirmed the successful integration of BiOBr nanosheets onto TiO₂ nanoparticles, resulting in an optimized heterostructure. Both TiO₂ and the BiOBr-modified TiO₂ (BiOBr/TiO₂) were synthesized using a facile hydrothermal method followed by a slow evaporation process. The BiOBr/TiO₂ composite exhibited significantly enhanced visible-light absorption compared to pure TiO₂, attributed to the light-absorbing properties of BiOBr and the effective formation of the S-scheme heterojunction. This configuration facilitated efficient charge separation, as demonstrated by photoluminescence (PL) quenching and decreased charge-transfer resistance observed in electrochemical impedance spectroscopy (EIS) analyses. The S-scheme mechanism enabled selective recombination of low-energy charge carriers while retaining high-energy electrons and holes, thus maximizing redox potential. Under sunlight irradiation, the BiOBr/TiO₂ composite achieved an impressive 93 % photocatalytic degradation of CIP, significantly outperforming both standalone TiO₂ and BiOBr. Trapping experiments highlighted the crucial roles of hydroxyl radicals (•OH⁻) and superoxide radicals (•O₂⁻) as reactive species driving the degradation process. This research underscores the substantial potential of S-scheme heterojunction photocatalysts for advanced wastewater treatment applications, offering a sustainable and effective solution to environmental remediation challenges.

复杂的s型异质结光催化剂的创建提出了一种通过改进电荷分离和光吸收来增强污染物降解的开创性方法。本研究介绍了一种新型的2D/3D BiOBr/TiO2 S-scheme异质结光催化剂，旨在提高抗生素污染物环丙沙星（CIP）在自然光照射下的降解效率。结构和形态表征证实了BiOBr纳米片成功集成到TiO2纳米颗粒上，从而获得了优化的异质结构。TiO2和BiOBr改性TiO2 （BiOBr/TiO2）均采用水热法和缓慢蒸发法制备。与纯TiO2相比，BiOBr/TiO2复合材料的可见光吸收能力显著增强，这是由于BiOBr的吸光特性和S-scheme异质结的有效形成。这种结构促进了有效的电荷分离，正如在电化学阻抗谱（EIS）分析中观察到的光致发光（PL）猝灭和电荷转移电阻降低所证明的那样。S-scheme机制使低能载流子选择性重组，同时保留高能电子和空穴，从而最大化氧化还原电位。在阳光照射下，BiOBr/TiO2复合材料对CIP的光催化降解率达到了令人印象深刻的93%，显著优于单独的TiO2和BiOBr。捕获实验强调了羟基自由基（•OH−）和超氧自由基（•O2−）作为驱动降解过程的活性物质的关键作用。这项研究强调了s型异质结光催化剂在高级废水处理应用中的巨大潜力，为环境修复挑战提供了可持续和有效的解决方案。

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引用次数: 0

3D printing of ZnO-modified hydroxyapatite scaffolds with directional pore microstructure for enhanced mechanical properties and biocompatibility 3D打印zno改性羟基磷灰石定向孔结构支架增强力学性能和生物相容性

IF 5.9 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-05-21 DOI: 10.1016/j.flatc.2025.100890

Xianglin Zhou , Wenya Zhou , Xiaolei Xie , Hongwei Chen , Mengli Li , Xu Zhen , Jing Ma , Zhiyang Lyu

Hydroxyapatite (HA) exhibits multifunctionality and wide applications in biological tissues such as vertebrate bones and teeth, due to facial element substitutions and chemical modifications of active surfaces in crystal structures with various inorganic or organic additives. It is a challenge to achieve biocompatible scaffolds that combine both high strength and toughness for the repair and regeneration of bone and tooth defects. In this study, we developed ZnO-modified hydroxyapatite 3D scaffolds with microscopic directional pore structures (∼20 μm) using a directional freezing-assisted direct-ink-writing (DIW) 3D printing technique. The directional pore microstructure significantly enhanced the mechanical properties compared to the non-directional scaffolds. Moreover, both experimental and molecular dynamics simulation results demonstrated that the incorporation of ZnO nanoparticles improved the sintering process, maintaining the directional pore microstructure while significantly increasing the mechanical strength. Notably, the coated hydroxyapatite scaffolds demonstrated excellent antimicrobial activity with ∼99 % antimicrobial resistance and biocompatibility with ∼89.96 % cell survival. This study presents an innovative approach for constructing directional porous hydroxyapatite scaffolds with multifunctionality and high mechanical properties, providing a promising foundation for advancements in dental restoration, implantable medical devices, and bone tissue engineering.

羟基磷灰石（HA）在脊椎动物骨骼和牙齿等生物组织中表现出多功能性和广泛的应用，这是由于各种无机或有机添加剂在晶体结构中的表面元素取代和活性表面的化学修饰。实现高强度和高韧性的生物相容性支架用于骨和牙齿缺损的修复和再生是一项挑战。在这项研究中，我们使用定向冷冻辅助直接墨水书写（DIW） 3D打印技术开发了具有微观定向孔结构（~ 20 μm）的zno改性羟基磷灰石3D支架。与非定向支架相比，定向孔结构显著提高了支架的力学性能。此外，实验和分子动力学模拟结果均表明，ZnO纳米颗粒的掺入改善了烧结过程，在保持定向孔微观结构的同时显著提高了机械强度。值得注意的是，包被的羟基磷灰石支架具有优异的抗菌活性，具有~ 99%的抗菌抗性和生物相容性，细胞存活率为~ 89.96%。本研究提出了一种具有多功能和高力学性能的定向多孔羟基磷灰石支架的创新方法，为牙体修复、植入式医疗器械和骨组织工程的发展提供了良好的基础。

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