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Theoretical design of Z-scheme photocatalyst for water splitting with excellent catalytic performance: GeSe/PtS2 heterojunction 具有优异催化性能的 Z 型光催化剂的理论设计:GeSe/PtS2 异质结
IF 5.7 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-05 DOI: 10.1016/j.surfin.2024.105306
Wentao Luo , Xing Wei , Jiaxin Wang , Yan Zhang , Yun Yang , Jian Liu , Ye Tian , Li Duan
In the face of the urgent need for energy transition, Z-scheme heterojunctions are considered highly suitable candidates for future photocatalytic applications, owing to their exceptional optoelectronic characteristics and high catalytic efficiency. This paper systematically investigates the geometric structure, optoelectronic properties, and catalytic efficiency of the GeSe/PtS2 heterojunction through detailed first-principles calculations. The findings indicate that the band structure of the GeSe/PtS2 heterojunction presents a staggered Type-Ⅱ band alignment and exhibits an indirect band gap measuring 1.75 eV Charge transfer analysis reveals that under the interplay of an intrinsic electric field directed from GeSe to PtS2 and the band bending occurring at the heterojunction interface, the GeSe/PtS2 heterojunction conforms to the obvious Z-scheme electron transfer mechanism characteristics. This facilitates the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) to proceed smoothly on opposite sides of the heterojunction. Across the pH range of 0 to 14, the heterojunction's band edge positions successfully span the redox potentials of water, and can still meet the hydrolysis potential requirements under strain. In addition, the GeSe/PtS2 heterojunction not only effectively compensates for the poor absorption of PtS2 monolayer to visible light, but also achieves a wider visible light absorption range through the strain-induced redshift in the spectrum. At the same time, the solar to hydrogen (STH) efficiency of up to 15.56 % further underscores the substantial catalytic potential of the GeSe/PtS2 heterojunction, offering promising design strategies for a technological revolution in the field of photocatalysis.
面对能源转型的迫切需求,Z 型异质结因其卓越的光电特性和高催化效率,被认为是未来光催化应用的最佳候选材料。本文通过详细的第一原理计算,系统地研究了 GeSe/PtS2 异质结的几何结构、光电特性和催化效率。研究结果表明,GeSe/PtS2 异质结的能带结构呈现出交错的Ⅱ型能带排列,间接能带隙为 1.75 eV 电荷转移分析表明,在从 GeSe 到 PtS2 的本征电场和异质结界面上发生的能带弯曲的相互作用下,GeSe/PtS2 异质结符合明显的 Z 型电子转移机制特征。这有助于氢进化反应(HER)和氧进化反应(OER)在异质结的两侧顺利进行。在 0 至 14 的 pH 值范围内,异质结的带边位置成功跨越了水的氧化还原电位,并且在应变条件下仍能满足水解电位的要求。此外,GeSe/PtS2 异质结不仅有效地弥补了 PtS2 单层对可见光吸收差的缺陷,还通过应变引起的光谱重移实现了更宽的可见光吸收范围。同时,高达 15.56 % 的太阳能制氢(STH)效率进一步凸显了 GeSe/PtS2 异质结的巨大催化潜力,为光催化领域的技术革命提供了前景广阔的设计策略。
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引用次数: 0
Effects of crystal facets of quartz on the formation and dissociation of natural gas hydrates 石英晶面对天然气水合物形成和解离的影响
IF 5.7 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-05 DOI: 10.1016/j.surfin.2024.105369
Yang Yu , Yang An , Ran Chen , Shihang Rao , Dingyuan Tang , Yajun Deng , Qingxia Liu
Natural gas hydrates are non-stoichiometric crystalline compounds composed of natural gas and water, typically found in the pore spaces constructed by minerals. Mineral crystals exhibit significant variations in surface properties among different crystal facets. Despite the importance of these mineral crystal facets, previous studies have not reported their influence on natural gas hydrates. To address this gap, we focused on quartz, a vital component of hydrate reservoirs, and studied the process of natural gas hydrates formation and dissociation on its distinct crystal facets. In our investigation, we simplified pores as narrow gap spaces between two parallel quartz substrates, and captured the entire process with a microscope. The results indicate that the formation and dissociation of natural gas hydrates are notably influenced by the distinct crystal facets of quartz. The influences of quartz crystal facet on the hydrate formation are primarily attributed to two factors, wettability and hydroxyl concentration of quartz crystal facet. We have also revealed the mechanism of how quartz crystal facet influences the hydrate dissociation. This research provides a fundamental understanding of how mineral crystal facets influence the hydrate formation and dissociation, offering a novel perspective for the design of processes for extracting hydrate.
天然气水合物是由天然气和水组成的非共计量结晶化合物,通常存在于矿物构造的孔隙中。矿物晶体的不同晶面在表面性质上有很大差异。尽管这些矿物晶体面非常重要,但之前的研究并未报道它们对天然气水合物的影响。为了弥补这一空白,我们重点研究了水合物储层的重要组成部分石英,并研究了天然气水合物在其不同晶面上的形成和解离过程。在研究中,我们将孔隙简化为两个平行石英基片之间的狭窄间隙空间,并用显微镜捕捉了整个过程。结果表明,天然气水合物的形成和解离明显受到石英不同晶面的影响。石英晶面对水合物形成的影响主要归因于两个因素,即石英晶面的润湿性和羟基浓度。我们还揭示了石英晶面如何影响水合物解离的机理。这项研究从根本上揭示了矿物晶面如何影响水合物的形成和解离,为水合物提取工艺的设计提供了新的视角。
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引用次数: 0
Synergistic effect of Na enrichment and F modification on copper Prussian blue analogue nanoparticles for supercapacitors 用于超级电容器的普鲁士蓝铜类似物纳米粒子的 Na 富集和 F 修饰协同效应
IF 5.7 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-05 DOI: 10.1016/j.surfin.2024.105356
Xuzhao Han , Yue Xing , Hailin Zhang , Dongbin Zhang , Lan Hao , Zhenbing Xie , Yuwei Wang
Prussian blue analogues (PBAs) are promising energy storage materials for supercapacitors. However, high defects and low activity are challenging for high-performance of PBAs. Herein, we propose a series of modified copper Prussian blue analogues (CFPs) with interface rearrangement followed by F modification and Na enrichment. The spectroscopic and electrochemical characteristics demonstrated the synergistic effect of F and Na, revealing the advantages of efficient electronic control and reaction sites synergism, which contributes to the high ion/electron transport and reversibility of CFPs. Benefitting from the reduced defects, optimized conductivity, and boosted electrochemically active surface and exposed active sites resulting from pre-stored Na and regulated F, the supercapacitor performance of CFP-3 has been improved, with a specific capacity of 182 F g−1 at 1 A g−1, and the rate capability is 82.4 % of the initial specific capacitance at 10 A g−1, which is 4 times higher than that of unmodified CFP-0. Asymmetric CFP-3//CNT device achieves an energy density of 6.1 Wh kg−1 at a power density of 1 kW kg−1, and an energy density of 5.3 Wh kg−1 at a power density of 7 kW kg−1. After 10,000 cycles, the device still retains 82.4 %, showing good cyclic stability. This work proposes a new approach to improve the energy storage properties by rearranging the interfacial atomic and optimizing the electrochemically active sites, which provides a new guidance for designing high-performance supercapacitor materials.
普鲁士蓝类似物(PBAs)是很有前途的超级电容器储能材料。然而,高缺陷和低活性是高性能普鲁士蓝类似物面临的挑战。在此,我们提出了一系列经过界面重排、F修饰和Na富集修饰的铜普鲁士蓝类似物(CFPs)。光谱和电化学特性显示了 F 和 Na 的协同效应,揭示了高效电子控制和反应位点协同的优势,这有助于 CFPs 的高离子/电子传输和可逆性。得益于预存储 Na 和调控 F 所带来的缺陷减少、电导率优化、电化学活性表面和暴露活性位点增强,CFP-3 的超级电容器性能得到了改善,在 1 A g-1 时的比容量为 182 F g-1,在 10 A g-1 时的速率能力为初始比电容的 82.4%,是未改性 CFP-0 的 4 倍。非对称 CFP-3/CNT 器件在功率密度为 1 kW kg-1 时的能量密度为 6.1 Wh kg-1,在功率密度为 7 kW kg-1 时的能量密度为 5.3 Wh kg-1。经过 10,000 次循环后,该装置仍能保持 82.4 % 的能量密度,显示出良好的循环稳定性。这项工作提出了一种通过重新排列界面原子和优化电化学活性位点来提高储能性能的新方法,为设计高性能超级电容器材料提供了新的指导。
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引用次数: 0
Hydrothermally synthesized hierarchical Pom-Pom-like gadolinium modified tungsten oxide reinforced with rGO for annihilation of acetylsalicylic acid and crystal violet 用于湮灭乙酰水杨酸和结晶紫的水热合成分层 Pom-Pom 样钆修饰氧化钨增强 rGO
IF 5.7 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-04 DOI: 10.1016/j.surfin.2024.105396
Moutaz Aldrdery , Muhammad Aadil , Awais Khalid , Mazen R. Alrahili , Muawya Elhadi , Faisal Alresheedi , Meri Algarni , Mohamed.R. El-Aassar , Atef El Jery
Herein, novel hierarchical Gd@WO3 pom-pom-like microstructures have been prepared through the hydrothermal method and combined with RGO sheets (denoted as RGO/Gd@WO3). The synthesized materials, along with their analogs, were characterized through X-ray diffraction (XRD), scanning electron microscopy (SEM), thermogravimetric analysis (TGA), Fourier transform infrared (FT-IR), Mott-Schottky, current-voltage (I-V), electrochemical impedance spectroscopy (EIS), and optical analyses. The unique morphology of pom-pom-like microstructures allowed better interaction with pollutant molecules. Rare earth element (Gd3+) ions act as trapping species for photo-generated electrons and prolong the life span of reactive oxygen species (ROS). The high conductivity and flexible nature of RGO sheets provided fast transport of active species and provided stability to the photocatalytic material. To test the photocatalytic efficiency of RGO/Gd@WO3, crystal violet (CV) and acetylsalicylic acid (ASA) were used as model pollutants. Under a mimetic light source, RGO/Gd@WO3 exhibited maximum photodegradation of 98.8 % and 84 % for CV and ASA within 120 min of irradiation, respectively. Photocurrent, Mott-Schottky, and EIS experiments proved the production, effective separation, and transmission of photo-active species in the presence of RGO/Gd@WO3 as compared to Gd@WO3 and WO3. Given the electrochemical testing and optical analysis, the photocatalytic mechanism is anticipated for the high photocatalytic activity of RGO/Gd@WO3. The novel RGO/Gd@WO3 photocatalyst proved to be a superior photocatalytic material for the photodegradation of organic pollutants.
本文通过水热法制备了新型分层 Gd@WO3 绒球状微结构,并将其与 RGO 片材结合(称为 RGO/Gd@WO3)。通过 X 射线衍射 (XRD)、扫描电子显微镜 (SEM)、热重分析 (TGA)、傅立叶变换红外 (FT-IR)、莫特-肖特基 (Mott-Schottky)、电流电压 (I-V)、电化学阻抗光谱 (EIS) 和光学分析,对合成的材料及其类似物进行了表征。绒球状微结构的独特形态能更好地与污染物分子相互作用。稀土元素(Gd3+)离子可捕获光生电子,延长活性氧(ROS)的寿命。RGO 薄膜的高导电性和柔韧性为活性物种提供了快速传输,并为光催化材料提供了稳定性。为了测试 RGO/Gd@WO3 的光催化效率,研究人员使用结晶紫(CV)和乙酰水杨酸(ASA)作为模型污染物。在模拟光源下,RGO/Gd@WO3 在 120 分钟内对 CV 和 ASA 的最大光降解率分别为 98.8% 和 84%。光电流、Mott-Schottky 和 EIS 实验证明,与 Gd@WO3 和 WO3 相比,RGO/Gd@WO3 能够产生、有效分离和传输光活性物种。根据电化学测试和光学分析,可以预见 RGO/Gd@WO3 的光催化机理将使其具有很高的光催化活性。事实证明,新型 RGO/Gd@WO3 光催化剂是光降解有机污染物的优良光催化材料。
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引用次数: 0
Efficient photocatalytic activity over α-MnS/ZIF-67 p-n junction: Revealing the synergistic effects of exposed crystal facets and built-in electric field mechanism α-MnS/ZIF-67 p-n 结的高效光催化活性:揭示裸露晶面与内置电场机制的协同效应
IF 5.7 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-04 DOI: 10.1016/j.surfin.2024.105395
Yanlong Yu , Yuan Tao , Sai Yan
In this investigation, we explored two series of composites comprising p-type α-MnS with selectively exposed {001} or {111} facets, coated with n-type ZIF-67 nanoparticles, to enhance the photocatalytic activity on Rhodamine B (RhB) degradation. The influence of the crystal facet orientation and the p-n junction on the photocatalytic efficacy was also well studied. The α-MnS/ZIF-67 composites displayed enhanced separation of charge carriers and superior light absorption capabilities, benefiting for efficient photocatalysis. The composites with cubic α-MnS morphology exhibited a pronouncedly higher photocatalytic activity relative to those with octahedral α-MnS morphology. The composition of α-MnS with ZIF-67 constructed the formation of a p-n junction with build-in electric field, extending the response into the visible region and promoting the mobility of charge carriers, thereby improving the photocatalytic performance. Our findings revealed that superoxide radicals (O2-) were the major reactive species in the photocatalytic degradation process. This study contributes novel insights into the development of high-performance and stable metal-organic framework (MOF)-based photocatalysts through the crystal facet engineering and the construction of p-n junctions.
在这项研究中,我们探索了两种系列的复合材料,它们由具有选择性暴露的{001}或{111}面的 p 型 α-MnS 组成,表面包覆有 n 型 ZIF-67 纳米粒子,以增强对罗丹明 B(RhB)降解的光催化活性。研究还深入探讨了晶面取向和 p-n 结对光催化效率的影响。α-MnS/ZIF-67复合材料显示出更强的电荷载体分离能力和卓越的光吸收能力,有利于高效光催化。与八面体 α-MnS 形状的复合材料相比,立方体 α-MnS 形状的复合材料具有更高的光催化活性。α-MnS与ZIF-67的组合构建了一个具有内置电场的p-n结,将响应扩展到可见光区域,促进了电荷载流子的迁移,从而提高了光催化性能。我们的研究结果表明,超氧自由基(O2-)是光催化降解过程中的主要反应物。这项研究为通过晶面工程和构建 p-n 结来开发高性能、稳定的金属有机框架(MOF)光催化剂提供了新的见解。
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引用次数: 0
Maghemite surface termination variations: Influence of models and Pt substrate Maghemite 表面终止变化:模型和铂基底的影响
IF 5.7 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-04 DOI: 10.1016/j.surfin.2024.105377
Amit Sahu, Céline Dupont
In spite of the growing interest in maghemite, its structure is not accurately known, and numerous uncertainties remain. The ongoing debate centers on its crystalline structure, whether cubic or tetragonal, and its implications for stable surface terminations. This study explores the crystalline nature of maghemite — cubic versus tetragonal — and its effects on surface stability. Using density functional theory (DFT) with Hubbard corrections, we evaluated the stability and electronic properties of maghemite’s (001) and (111) surfaces under both cubic and tetragonal configurations, while also considering the influence of a Pt substrate and strain arising from lattice mismatch. Our findings indicate that native cubic (001) surfaces are inherently more stable than tetragonal ones. However, the presence of a Pt substrate shifts this stability, favoring the cubic (111) surface presenting a higher adhesion energy. We examined the electronic properties of various cases to provide a rationalization of the observed stability order. Our study provides crucial insights into the impact of crystalline structure and Pt substrate on the stability and favored terminations of maghemite surfaces, emphasizing their prospective utility as water oxidation catalysts.
尽管人们对 Maghemite 的兴趣与日俱增,但对其结构的了解并不准确,仍然存在许多不确定因素。目前争论的焦点是其晶体结构(立方还是四方)及其对稳定表面端接的影响。本研究探讨了方镁石的晶体性质--立方还是四方--及其对表面稳定性的影响。我们使用带有哈伯德修正的密度泛函理论(DFT)评估了方镁石 (001) 和 (111) 表面在立方和四方构型下的稳定性和电子特性,同时还考虑了铂基底和晶格错配产生的应变的影响。我们的研究结果表明,原生立方(001)表面在本质上比四方表面更稳定。然而,铂基底的存在改变了这种稳定性,使立方(111)表面具有更高的附着能。我们研究了各种情况下的电子特性,为观察到的稳定性顺序提供了合理解释。我们的研究提供了晶体结构和铂基底对方镁石表面稳定性和偏好端点影响的重要见解,强调了方镁石作为水氧化催化剂的应用前景。
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引用次数: 0
Atomic-scale insights into the microstructure and interface evolution mechanism of copper/tantalum nanofilms during ultra-precision grinding 从原子尺度洞察超精密研磨过程中铜/钽纳米薄膜的微观结构和界面演变机制
IF 5.7 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-04 DOI: 10.1016/j.surfin.2024.105393
Kezhong Xu, Yuqi Zhou, Yuhan Gao, Yuxin Chen, Xin Lei, Ziniu Yu, Fulong Zhu
The copper (Cu)/tantalum (Ta) nanofilms are the vital component in the through silicon via (TSV) wafer. However, the current lack of research on the ultra-precision machining of Cu/Ta nanofilms limits the development of TSV-based 3D integration technologies. In this work, molecular dynamics simulations are conducted to reveal the microstructure and interface evolution mechanism of Cu/Ta nanofilms during nano-grinding under various grinding depths. The results show that the material removal mode differs between the Cu and Ta layers, and the thickness of the subsurface damage layer of the Cu layer is greater than that of the Ta layer. The Cu/Ta interface is well stabilized, and small amounts of micro-defects appear only at larger grinding depths after grinding. The lattice mismatch of the constituent layers and the hindering role by the interface lead to stress concentration at the interface, and it is more obvious with increasing grinding depth. Nevertheless, there is a significant stress release after grinding. Our computations indicate that the competition between the evolution of interfacial structures and discrepancies in the physical properties of constituent layers leads to an increase in grinding forces at the interface. Furthermore, the heat transfer is obstructed by the Cu/Ta interface. This study provides valuable insights into the grinding mechanisms of Cu/Ta nanofilms, which is conducive to further improving the manufacturing process of the TSV wafer and enhancing the performance of microelectronic devices.
铜(Cu)/钽(Ta)纳米薄膜是硅通孔(TSV)晶片的重要组成部分。然而,由于目前缺乏对铜/钽纳米薄膜超精密加工的研究,限制了基于 TSV 的三维集成技术的发展。本研究通过分子动力学模拟揭示了不同研磨深度下纳米研磨过程中铜/钽纳米薄膜的微观结构和界面演化机理。结果表明,Cu 层和 Ta 层的材料去除模式不同,且 Cu 层的表面下损伤层厚度大于 Ta 层。Cu/Ta 界面稳定良好,磨削后只有在较大的磨削深度才会出现少量微缺陷。组成层的晶格失配和界面的阻碍作用导致了界面处的应力集中,并且随着研磨深度的增加应力集中现象更加明显。尽管如此,磨削后仍有明显的应力释放。我们的计算表明,界面结构的演变与组成层物理性质的差异之间的竞争导致了界面研磨力的增加。此外,Cu/Ta 界面阻碍了热传递。这项研究为了解 Cu/Ta 纳米薄膜的研磨机制提供了宝贵的见解,有利于进一步改进 TSV 硅片的制造工艺,提高微电子器件的性能。
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引用次数: 0
PLA/PCL polymer nanocomposite with silver and copper nanoparticles and lavender essential oil: Synthesis, characterization and application in tissue engineering 含有银、铜纳米粒子和薰衣草精油的聚乳酸/PCL 聚合物纳米复合材料:合成、表征及在组织工程中的应用
IF 5.7 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-03 DOI: 10.1016/j.surfin.2024.105391
Lailla Daianna Soltau Missio Pinheiro , Gabriela Geraldo Sangoi , Nicole Camponogara Righi , Bruno Stefanello Vizzotto , Yolice Patricia Moreno Ruiz , André Galembeck , Giovani Pavoski , Denise Crocce Romano Espinosa , Alencar Kolinski Machado , William Leonardo da Silva
The present work aims to synthesize, characterize, and evaluate the cytotoxicity and antimicrobial activity of PLA/PCL polymeric nanocomposite with silver nanoparticles (AgNPs) and copper (CuNPs) and the addition of lavender essential oil (LEO) for application in tissue engineering. For the synthesis of the nanocomposite films, the central composite rotational design (CCRD 2²) was used, where the ideal condition was 0 .5 %wt. of AgNPs and CuNPs (3:1D) with a higher cell viability (196.1 %) after 24 h. After defining the ideal condition, the effect of incorporating LEO into the polymer blend and nanoparticles in the proportions of 0.5 (3:1D0.5), 0.75 (3:1D0.75) and 1 v-1 (3:1D1) was evaluated. All nanocomposite films were characterized structurally, morphologically, thermally, and mechanically by X-ray diffraction (XRD), Field Emission Gun–Scanning Electron Microscopy (FEG-SEM), Thermogravimetric analysis (TGA), contact angle and mechanical Properties (displacement and maximum tension). To evaluate cytotoxicity, an in vitro safety profile was performed in HFF-1 (fibroblasts) and HaCat (keratinocytes) cell lines, where PLA/PCL polymer blend with 0.5 %wt. of AgNPs and CuNPs (3:1D) and PLA/PCL polymer blend with 0.5 %wt. of AgNPs and CuNPs and LEO (0.5 v-1) (3:1D0.5) nanocomposite film showed the best cell viability without the nitric oxide (NO) generation, total levels of reactive oxygen species (ROS) or dsDNA release for the HFF-1 and HaCat cell lines, as well as genoprotective characteristic and without genotoxic profile. Moreover, the tests were carried out on the pH of injured skin at different immersion times (3, 6, 12 and 24 h) and didn´t show cell death or inflammatory reaction. For the antimicrobial activity, the 3:1D, 3:1D0.5, and PLA/PCL polymer blend with 0.5 %wt. of AgNPs and CuNPs and LEO (0.75 v-1) (3:1D0.75) nanocomposite films showed the formation of biofilm for S. aureus, E. coli, P. aeruginosa and K. pneumoniae. Therefore, the PLA/PCL polymer nanocomposite with AgNPs and CuNPs showed potential application as a healing dressing for skin regeneration.
本研究旨在合成、表征和评估含有银纳米粒子(AgNPs)和铜纳米粒子(CuNPs)并添加了薰衣草精油(LEO)的聚乳酸/聚氯乙烯聚合物纳米复合材料的细胞毒性和抗菌活性,并将其应用于组织工程中。在合成纳米复合薄膜时,采用了中心复合旋转设计(CCRD 2²),理想条件是 AgNPs 和 CuNPs 的重量比为 0.5 %(3:1D),24 小时后细胞存活率较高(196.1 %)。在确定理想条件后,评估了将 LEO 以 0.5 (3:1D0.5)、0.75 (3:1D0.75) 和 1 v-1 (3:1D1)的比例加入聚合物混合物和纳米粒子中的效果。通过 X 射线衍射 (XRD)、场发射枪扫描电子显微镜 (FEG-SEM)、热重分析 (TGA)、接触角和机械性能(位移和最大拉力)对所有纳米复合薄膜进行了结构、形态、热学和力学表征。为了评估细胞毒性,在 HFF-1(成纤维细胞)和 HaCat(角质形成细胞)细胞系中进行了体外安全性分析,在这两种细胞系中,AgNPs 和 CuNPs(3:1D)占 0.5% 重量的 PLA/PCL 聚合物混合物,以及 AgNPs 和 CuNPs(3:1D)占 0.5% 重量的 PLA/PCL 聚合物混合物和 LEO(0.5 v-1) (3:1D0.5)纳米复合薄膜对 HFF-1 和 HaCat 细胞株显示出最佳的细胞存活率,且无一氧化氮(NO)生成、活性氧(ROS)总水平或 dsDNA 释放,同时还具有基因保护特性和无基因毒性特征。此外,在不同的浸泡时间(3、6、12 和 24 小时)下,对受伤皮肤的 pH 值进行了测试,结果未显示细胞死亡或炎症反应。在抗菌活性方面,3:1D、3:1D0.5 和含有 0.5 % 重量百分比的 AgNPs 和 CuNPs 的 PLA/PCL 聚合物混合物以及 LEO (0.75 v-1) (3:1D0.75) 纳米复合薄膜显示金黄色葡萄球菌、大肠杆菌、绿脓杆菌和肺炎双球菌形成了生物膜。因此,含有 AgNPs 和 CuNPs 的 PLA/PCL 聚合物纳米复合材料有望用作皮肤再生的愈合敷料。
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引用次数: 0
Validation of spectroscopy quantitative method for the synthesis of compositionally-modulated FAPbI3 perovskite films by thermal evaporation 利用热蒸发法合成成分调控型 FAPbI3 包晶薄膜的光谱定量方法的验证
IF 5.7 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-03 DOI: 10.1016/j.surfin.2024.105390
Felipe Barría-Cáceres , Felipe A. Angel
Aiming at the formation of graded junctions, specifically the utilization of perovskite-perovskite homojunctions, we have successfully developed a reproducible methodology for synthesizing perovskite films using dual deposition of organic and inorganic precursors through vacuum thermal evaporation, forming compositionally modulated FAPbI3-based perovskite materials. These homojunctions leverage the self-compositional doping of perovskite materials, incorporating both n-doped and p-doped films. We employed complementary techniques such as energy-dispersive X-ray spectroscopy (EDS), X-ray photoelectron spectroscopy (XPS), and glow discharge optical emission spectroscopy (GDOES) to characterize these films. The combination of our deposition technique and comprehensive spectroscopic analysis provides valuable insights into the composition and properties of the resulting films. By employing this novel methodology, we aim to advance the development of new processing methods for the synthesis of compositionally doped perovskite films and paving the way for their potential applications to fabricate solar cells that include perovskite-perovskite homojunctions, enhancing charge extraction at the interface.
为了形成分级结,特别是利用透辉石-透辉石同质结,我们成功地开发了一种可重复的方法,通过真空热蒸发,利用有机和无机前驱体的双重沉积合成透辉石薄膜,形成成分调制的基于 FAPbI3 的透辉石材料。这些同质结充分利用了透辉石材料的自成分掺杂特性,同时结合了 n 掺杂和 p 掺杂薄膜。我们采用了能量色散 X 射线光谱 (EDS)、X 射线光电子能谱 (XPS) 和辉光放电光学发射光谱 (GDOES) 等补充技术来表征这些薄膜。我们的沉积技术与全面的光谱分析相结合,为了解薄膜的组成和特性提供了宝贵的信息。通过采用这种新颖的方法,我们旨在推动合成成分掺杂的包晶石薄膜的新加工方法的发展,并为其在太阳能电池制造中的潜在应用铺平道路,这些太阳能电池包括包晶石-包晶石同结,从而增强了界面上的电荷提取。
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引用次数: 0
Analysis of the highly sensitive mechanism of an electrochemical sensor for salvianolic acid B based on network pharmacology 基于网络药理学的丹酚酸 B 电化学传感器的高灵敏机理分析
IF 5.7 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-03 DOI: 10.1016/j.surfin.2024.105388
Zihua Wang, Yue Han, Weiru Tan, Pengshuai Zhang, Lulu Guo, Jing Tian, Shuoye Yang, Lu Zhang
Salvianolic acid B (Sal B), the key bioactive compound in the traditional Chinese herb Salvia miltiorrhiza, is recognized for its extensive pharmacological effects, especially its potent cardioprotective properties. Network pharmacology analysis has elucidated the complex mechanisms of action of Sal B by integrating a systems biology framework with the examination of multiple drug targets. Despite the therapeutic potential of Sal B, its precise detection remains a technical challenge, mostly because of interference in the detection of coexisting structural analogs in leach liquor. The adoption of electrochemical technology offers a practical alternative that meets the demands for speed and precision in quantifying Sal B. Consequently, the current study presents an electrochemical sensing approach based on the composite material Au@CeO2-Fe3O4 embellished reduced graphene oxide (rGO). This integration utilized the exceptional electrical conductivity of Au, the catalytic properties of ceria, and the magnetic properties of iron oxide (Fe3O4) nanoparticles, which significantly enhanced the sensor performance. The results indicate that the developed electrochemical sensor exhibited a linear detection range spanning four orders of magnitude, with a low detection limit of 0.037 μM. The linear range is 1–1000 μM, and the sensitivity is 59.44 µA µM⁻¹ cm⁻², demonstrating high sensitivity and selectivity in the detection of Sal B in actual samples. This research provides a novel perspective for the efficient detection of Sal B, offering a scientific basis for clinical therapeutic monitoring and contributing positively to the modernization of traditional Chinese medicine.
丹酚酸 B(Sal B)是传统中草药丹参中的主要生物活性化合物,因其广泛的药理作用,尤其是强效的心脏保护特性而得到公认。通过将系统生物学框架与多个药物靶点的研究相结合,网络药理学分析阐明了 Sal B 的复杂作用机制。尽管 Sal B 具有治疗潜力,但其精确检测仍然是一项技术挑战,主要原因是浸出液中共存结构类似物的检测存在干扰。因此,本研究提出了一种基于 Au@CeO2-Fe3O4 缀合还原氧化石墨烯(rGO)复合材料的电化学传感方法。这种集成利用了金的优异导电性、铈的催化特性和氧化铁(Fe3O4)纳米颗粒的磁性,从而显著提高了传感器的性能。结果表明,所开发的电化学传感器的线性检测范围跨越了四个数量级,检测限低至 0.037 μM。其线性范围为 1-1000 μM,灵敏度为 59.44 µA µM-¹ cm-²,显示了在实际样品中检测盐 B 的高灵敏度和高选择性。该研究为高效检测盐酸乙胺提供了新的视角,为临床治疗监测提供了科学依据,为中药现代化做出了积极贡献。
{"title":"Analysis of the highly sensitive mechanism of an electrochemical sensor for salvianolic acid B based on network pharmacology","authors":"Zihua Wang,&nbsp;Yue Han,&nbsp;Weiru Tan,&nbsp;Pengshuai Zhang,&nbsp;Lulu Guo,&nbsp;Jing Tian,&nbsp;Shuoye Yang,&nbsp;Lu Zhang","doi":"10.1016/j.surfin.2024.105388","DOIUrl":"10.1016/j.surfin.2024.105388","url":null,"abstract":"<div><div>Salvianolic acid B (Sal B), the key bioactive compound in the traditional Chinese herb <em>Salvia miltiorrhiza</em>, is recognized for its extensive pharmacological effects, especially its potent cardioprotective properties. Network pharmacology analysis has elucidated the complex mechanisms of action of Sal B by integrating a systems biology framework with the examination of multiple drug targets. Despite the therapeutic potential of Sal B, its precise detection remains a technical challenge, mostly because of interference in the detection of coexisting structural analogs in leach liquor. The adoption of electrochemical technology offers a practical alternative that meets the demands for speed and precision in quantifying Sal B. Consequently, the current study presents an electrochemical sensing approach based on the composite material Au@CeO<sub>2</sub>-Fe<sub>3</sub>O<sub>4</sub> embellished reduced graphene oxide (rGO). This integration utilized the exceptional electrical conductivity of Au, the catalytic properties of ceria, and the magnetic properties of iron oxide (Fe<sub>3</sub>O<sub>4</sub>) nanoparticles, which significantly enhanced the sensor performance. The results indicate that the developed electrochemical sensor exhibited a linear detection range spanning four orders of magnitude, with a low detection limit of 0.037 μM. The linear range is 1–1000 μM, and the sensitivity is 59.44 µA µM⁻¹ cm⁻², demonstrating high sensitivity and selectivity in the detection of Sal B in actual samples. This research provides a novel perspective for the efficient detection of Sal B, offering a scientific basis for clinical therapeutic monitoring and contributing positively to the modernization of traditional Chinese medicine.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"55 ","pages":"Article 105388"},"PeriodicalIF":5.7,"publicationDate":"2024-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142660623","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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Surfaces and Interfaces
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