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Direct Synthesis of CuP2 and Cu3P and Their Performance as Electrocatalysts for Hydrogen Evolution, Oxygen Evolution, and Oxygen Reduction Reactions 直接合成 CuP2 和 Cu3P 及其作为氢气进化、氧气进化和氧气还原反应电催化剂的性能
Pub Date : 2024-03-07 DOI: 10.3390/solids5010010
Xiao Ma, Xueni Huang, A. Lachgar
Copper phosphides are promising materials for energy conversion applications because of their unique electronic structure and controllable composition. Two stoichiometric copper phosphides, CuP2 and Cu3P, were prepared by direct wet-chemical synthesis using red phosphorus. They were characterized by powder X-ray diffraction, scanning and transmission electron microscopy, and X-ray photoelectron spectroscopy. The precursor selection, reaction temperature, time and solvent composition were also studied. CuP2 is the thermodynamically more stable product, but Cu3P is more commonly obtained. This work demonstrated that higher temperature helps in CuP2 formation. More importantly, using more trioctylphosphine oxide helps control the morphology leading to crystal growth along the crystallographic a-axis. CuP2 and Cu3P were tested for hydrogen evolution, oxygen evolution, and oxygen reduction reactions. CuP2 works better for HER in acidic conditions and OER in general, and Cu3P showed better activity than CuP2 for HER and ORR in an alkaline medium. This study has led to a simple approach to the synthesis of CuP2 nanowires.
磷化铜因其独特的电子结构和可控的成分而成为能源转换应用的有前途的材料。本研究采用红磷直接湿化学合成法制备了两种化学计量的磷化铜,即 CuP2 和 Cu3P。粉末 X 射线衍射、扫描和透射电子显微镜以及 X 射线光电子能谱对它们进行了表征。此外,还研究了前驱体的选择、反应温度、时间和溶剂成分。CuP2 是热力学上更稳定的产物,但 Cu3P 更常见。这项研究表明,较高的温度有助于 CuP2 的形成。更重要的是,使用更多的三辛基氧化膦有助于控制形貌,使晶体沿晶体学 a 轴生长。对 CuP2 和 Cu3P 进行了氢进化、氧进化和氧还原反应测试。CuP2 在酸性条件下的氢进化反应和一般的氧还原反应中表现更好,而 Cu3P 在碱性介质中的氢进化反应和氧还原反应中表现出比 CuP2 更好的活性。这项研究为 CuP2 纳米线的合成提供了一种简单的方法。
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引用次数: 0
Microstructure-Based CZE Model for Crack Initiation and Growth in CGI: Effects of Graphite-Particle Morphology and Spacing 基于微观结构的 CGI 裂纹萌发和生长 CZE 模型:石墨颗粒形态和间距的影响
Pub Date : 2024-03-01 DOI: 10.3390/solids5010009
Xingling Luo, K. Baxevanakis, Vadim V. Silberschmidt
Compacted graphite iron (CGI) is an engineering material with the potential to fill the application gap between flake- and spheroidal-graphite irons thanks to its unique microstructure and competitive price. Despite its wide use and considerable past research, its complex microstructure often leads researchers to focus on models based on representative volume elements with multiple particles, frequently overlooking the impact of individual particle shapes and interactions between the neighbouring particles on crack initiation and propagation. This study focuses on the effects of graphite morphology and spacing between inclusions on the mechanical and fracture behaviours of CGI at the microscale. In this work, 2D cohesive-zone-element-based models with different graphite morphologies and spacings were developed to investigate the mechanical behaviour as well as crack initiation and propagation. ImageJ and scanning electron microscopy were used to characterise and analyse the microstructure of CGI. In simulations, both graphite particles and metallic matrix were assumed isotropic and ductile. Cohesive zone elements (CZEs) were employed in the whole domain studied. It was found that graphite morphology had a negligible effect on interface debonding but nodular inclusions can notably enhance the stiffness of the material and effectively impede the propagation of cracks within the matrix. Besides, a small distance between graphite particles accelerates the crack growth. These results can be used to design and manufacture better metal-matrix composites.
压实石墨铁(CGI)是一种工程材料,由于其独特的微观结构和具有竞争力的价格,有望填补鳞片石墨铁和球化石墨铁之间的应用空白。尽管其用途广泛,过去也有大量研究,但其复杂的微观结构往往导致研究人员将重点放在基于多颗粒代表性体积元素的模型上,经常忽略单个颗粒形状和相邻颗粒之间的相互作用对裂纹产生和扩展的影响。本研究的重点是石墨形态和夹杂物之间的间距对 CGI 微尺度机械和断裂行为的影响。在这项工作中,我们建立了基于内聚区元素的二维模型,该模型具有不同的石墨形态和间距,用于研究机械行为以及裂纹的萌发和扩展。使用 ImageJ 和扫描电子显微镜对 CGI 的微观结构进行了表征和分析。在模拟中,假定石墨颗粒和金属基体具有各向同性和延展性。在研究的整个域中采用了内聚区元素(CZE)。结果发现,石墨形态对界面脱粘的影响可以忽略不计,但结节状夹杂物可以显著增强材料的刚度,并有效阻碍裂纹在基体内的扩展。此外,石墨颗粒之间的小间距会加速裂纹的生长。这些结果可用于设计和制造更好的金属基复合材料。
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引用次数: 0
Uncovering the Effects of Non-Hydrostaticity on Pressure-Induced Phase Transformation in Xenotime-Structured TbPO4 揭示非静力学对氙结构 TbPO4 中压力诱导相变的影响
Pub Date : 2024-02-16 DOI: 10.3390/solids5010008
Jai Sharma, C. Packard
The pressure-induced phase transformations of rare earth orthophosphates (REPO4s) have become increasingly relevant in ceramic matrix composite (CMC) research; however, understanding of the shear-dependence of these transformations remains limited. This study employs diamond anvil cell experiments with three pressure media (neon, KCl, sample itself/no medium) to systematically assess the effect of shear on the phase transformations of TbPO4. Results show a lowering of the TbPO4 transformation onset pressure (Ponset) as well as an extension of the xenotime–monazite phase coexistence range under non-hydrostatic conditions. The TbPO4 Ponset under no medium (4.4(3) GPa) is the lowest REPO4 Ponset reported to date and represents a ~50% drop from the hydrostatic Ponset. Enthalpic differences likely account for lower Ponset values in TbPO4 compared to DyPO4. Experiments also show scheelite may be the post-monazite phase of TbPO4; this phase is consistent with observed and predicted REPO4 transformation pathways.
稀土正磷酸盐(REPO4)的压力诱导相变在陶瓷基复合材料(CMC)研究中的重要性日益凸显;然而,对这些相变的剪切依赖性的了解仍然有限。本研究采用三种压力介质(氖、氯化钾、样品本身/无介质)进行金刚石砧室实验,系统评估剪切力对 TbPO4 相变的影响。结果表明,在非流体静力学条件下,TbPO4 转变起始压力(Ponset)降低,氙-蒙脱石相共存范围扩大。无介质条件下的 TbPO4 起始压(4.4(3) GPa)是迄今为止报告的最低的 REPO4 起始压,与静水压起始压相比下降了约 50%。与 DyPO4 相比,TbPO4 中较低的 Ponset 值可能与邻苯二甲酸盐的差异有关。实验还显示白钨矿可能是 TbPO4 的后蒙脱石相;该相与观察到的和预测的 REPO4 转化途径一致。
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引用次数: 0
Luminous Transmittance and Color Rendering Characteristics of Evaporated Chalcopyrite Thin Films for Semitransparent Photovoltaics 半透明光伏用蒸发黄铜矿薄膜的透光率和显色特性
Pub Date : 2024-02-08 DOI: 10.3390/solids5010007
Cecilia Guillén
The luminous transmittance and the color rendering index of daylight through semitransparent photovoltaic glazing are essential parameters for visual comfort indoors, and they must be considered for different absorber materials that were traditionally developed for opaque solar cells, such as those of the chalcopyrite type. With this aim, various chalcopyrite compounds (CuInSe2, CuInS2 and CuGaS2) were prepared by means of evaporation and then measured to obtain their optical absorption spectra. These experimental data are used here to calculate the solar absorptance (αS), luminous transmittance (τL) and color rendering index (Ra) as a function of the chalcopyrite film thickness. The comparative analysis of the different factors indicates that 70 nm thick CuInSe2 is optimal to guarantee excellent visual comfort (τL = 50% and Ra = 93%) while absorbing as much solar irradiance (αS = 37%) as 130 nm thick CuInS2 or 900 nm thick CuGaS2. The second option (130 nm thick CuInS2) is also considered good (τL = 40% and Ra = 80%), but for CuGaS2, the thickness should be kept below 250 nm in order to obtain a suitable color rendering Ra ≥ 60%.
日光透过半透明光伏玻璃的透光率和显色指数是室内视觉舒适度的重要参数,必须考虑传统上为不透明太阳能电池开发的不同吸收材料,如黄铜矿类型的吸收材料。为此,我们通过蒸发法制备了各种黄铜矿化合物(CuInSe2、CuInS2 和 CuGaS2),然后测量了它们的光学吸收光谱。本文利用这些实验数据计算了太阳吸收率 (αS)、透光率 (τL) 和显色指数 (Ra) 与黄铜矿薄膜厚度的函数关系。对不同因素的比较分析表明,70 nm 厚的 CuInSe2 与 130 nm 厚的 CuInS2 或 900 nm 厚的 CuGaS2 相比,在吸收同样多的太阳辐照度(αS = 37%)的同时,还能保证极佳的视觉舒适度(τL = 50%,Ra = 93%)。第二种方案(130 nm 厚的 CuInS2)也被认为很好(τL = 40%,Ra = 80%),但对于 CuGaS2,厚度应保持在 250 nm 以下,以获得合适的显色性 Ra ≥ 60%。
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引用次数: 0
Luminous Transmittance and Color Rendering Characteristics of Evaporated Chalcopyrite Thin Films for Semitransparent Photovoltaics 半透明光伏用蒸发黄铜矿薄膜的透光率和显色特性
Pub Date : 2024-02-08 DOI: 10.3390/solids5010007
Cecilia Guillén
The luminous transmittance and the color rendering index of daylight through semitransparent photovoltaic glazing are essential parameters for visual comfort indoors, and they must be considered for different absorber materials that were traditionally developed for opaque solar cells, such as those of the chalcopyrite type. With this aim, various chalcopyrite compounds (CuInSe2, CuInS2 and CuGaS2) were prepared by means of evaporation and then measured to obtain their optical absorption spectra. These experimental data are used here to calculate the solar absorptance (αS), luminous transmittance (τL) and color rendering index (Ra) as a function of the chalcopyrite film thickness. The comparative analysis of the different factors indicates that 70 nm thick CuInSe2 is optimal to guarantee excellent visual comfort (τL = 50% and Ra = 93%) while absorbing as much solar irradiance (αS = 37%) as 130 nm thick CuInS2 or 900 nm thick CuGaS2. The second option (130 nm thick CuInS2) is also considered good (τL = 40% and Ra = 80%), but for CuGaS2, the thickness should be kept below 250 nm in order to obtain a suitable color rendering Ra ≥ 60%.
日光透过半透明光伏玻璃的透光率和显色指数是室内视觉舒适度的重要参数,必须考虑传统上为不透明太阳能电池开发的不同吸收材料,如黄铜矿类型的吸收材料。为此,我们通过蒸发法制备了各种黄铜矿化合物(CuInSe2、CuInS2 和 CuGaS2),然后测量了它们的光学吸收光谱。本文利用这些实验数据计算了太阳吸收率 (αS)、透光率 (τL) 和显色指数 (Ra) 与黄铜矿薄膜厚度的函数关系。对不同因素的比较分析表明,70 nm 厚的 CuInSe2 与 130 nm 厚的 CuInS2 或 900 nm 厚的 CuGaS2 相比,在吸收同样多的太阳辐照度(αS = 37%)的同时,还能保证极佳的视觉舒适度(τL = 50%,Ra = 93%)。第二种方案(130 nm 厚的 CuInS2)也被认为很好(τL = 40%,Ra = 80%),但对于 CuGaS2,厚度应保持在 250 nm 以下,以获得合适的显色性 Ra ≥ 60%。
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引用次数: 0
Durability Prediction of Cyclically Loaded CP-W800 Fillet Welds 循环加载 CP-W800 焊缝的耐久性预测
Pub Date : 2024-02-01 DOI: 10.3390/solids5010006
D. Tomažinčič, Peter Zobec, Marko Vrh, Aleš Gosar, Jurij Švegelj, Matic Muc, Vili Malnaric, J. Klemenc, Domen Šeruga
Two methods of durability prediction of fillet welds were researched in this study. Namely, the structural Hot-Spot method and the structural stress method fe-safe Verity were applied to fatigue life estimation of a double plate lap fillet weld made of high-strength complex phase CP-W800 steel. Durability predictions were compared against available high-cycle fatigue experimental data obtained for the same weld detail and material. Both 2D and 3D finite element meshes were considered in the simulations. It was shown that comparable predictions were obtained using either the Hot-Spot method or the fe-safe Verity module in the case of the 3D FE mesh. On the contrary, a less conservative durability prediction was observed using the Hot-Spot method and a more conservative durability prediction was gained using the fe-safe Verity module in the case of the 2D FE mesh due to a different consideration of stress concentration around the weld.
本研究探讨了两种角焊缝耐久性预测方法。即,将结构热斑法和结构应力法 fe-safe Verity 应用于高强度复相 CP-W800 钢双板搭接角焊缝的疲劳寿命评估。耐久性预测结果与相同焊缝细节和材料的现有高循环疲劳实验数据进行了比较。模拟中考虑了二维和三维有限元网格。结果表明,在三维有限元网格的情况下,使用热斑法或 fe-safe Verity 模块可以获得可比的预测结果。相反,在二维有限元网格中,由于对焊缝周围应力集中的考虑不同,使用 Hot-Spot 方法得到的耐久性预测较保守,而使用 fe-safe Verity 模块得到的耐久性预测较保守。
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引用次数: 0
Microwave Absorption Properties of Ceramics Based on BiFeO3 Modified with Ho 基于用 Ho 改性的 BiFeO3 陶瓷的微波吸收特性
Pub Date : 2024-01-17 DOI: 10.3390/solids5010005
P. Astafev, Konstantin Andryushin, A. Pavelko, Alexander Lerer, Yakov Reizenkind, Ekaterina Glazunova, L. Shilkina, Inna Andryushina, Alexandr Nagaenko, Larisa Reznichenko
Ceramic samples of Bi1−xHoxFeO3, where x = 0.00–0.50, with a modifier concentration variation step ∆x = 0.05–0.10, were prepared by a two-step solid-phase synthesis followed by sintering using conventional ceramic technology. X-ray phase analysis showed that all the solid solutions studied were formed in the presence of impurities. With increasing Ho concentration, a non-monotonic shift in all loss maxima towards the low-frequency region is observed, as well as an increase in their half-width. An increase in the external temperature leads to a monotonic shift in the absorption maxima towards the low-frequency region, which enables the necessary control of the microwave parameters in the X band. A conclusion has been drawn on the feasibility of using the data obtained in the design of new functional materials based on BiFeO3, as well as devices with thermally controlled frequency.
通过两步固相合成法制备了 Bi1-xHoxFeO3 陶瓷样品(其中 x = 0.00-0.50,改性剂浓度变化步骤 ∆x = 0.05-0.10),然后使用传统陶瓷技术进行烧结。X 射线相分析表明,所研究的所有固溶体都是在存在杂质的情况下形成的。随着 Ho 浓度的增加,所有损耗最大值都向低频区域发生了非单调移动,其半宽度也有所增加。外部温度的升高导致吸收最大值向低频区单调移动,从而实现了对 X 波段微波参数的必要控制。最后得出的结论是,利用所获得的数据设计基于 BiFeO3 的新型功能材料以及具有热控频率的设备是可行的。
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引用次数: 0
Two-Dimensional Ferroelectrics: A Review on Applications and Devices 二维铁电:应用与器件综述
Pub Date : 2024-01-16 DOI: 10.3390/solids5010004
Gabriella Maria De Luca, A. Rubano
Over the last few years, research activities have seen two-dimensional (2D) materials become protagonists in the field of nanotechnology. In particular, 2D materials characterized by ferroelectric properties are extremely interesting, as they are better suited for the development of miniaturized and high-performing devices. Here, we summarize the recent advances in this field, reviewing the realization of devices based on 2D ferroelectric materials, like FeFET, FTJ, and optoelectronics. The devices are realized with a wide range of material systems, from oxide materials at low dimensions to 2D materials exhibiting van der Waals interactions. We conclude by presenting how these materials could be useful in the field of devices based on magnons or surface acoustic waves.
在过去几年的研究活动中,二维(2D)材料已成为纳米技术领域的主角。尤其是具有铁电特性的二维材料,由于更适合开发微型化和高性能的设备,因此极具吸引力。在此,我们总结了这一领域的最新进展,回顾了基于二维铁电材料实现的器件,如 FeFET、FTJ 和光电器件。这些器件是通过各种材料系统实现的,从低尺寸的氧化物材料到表现出范德华相互作用的二维材料。最后,我们将介绍这些材料如何在基于磁子或表面声波的器件领域发挥作用。
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引用次数: 0
The Origin of the Yellow Luminescence Band in Be-Doped Bulk GaN 掺杂铍的块状氮化镓中黄色发光带的起源
Pub Date : 2024-01-04 DOI: 10.3390/solids5010003
M. Reshchikov, Michał Boćkowski
Photoluminescence (PL) from Be-doped bulk GaN crystals grown by the High Nitrogen Pressure Solution method was studied and compared with PL from GaN:Be layers on sapphire grown by molecular beam epitaxy and metalorganic chemical vapor deposition techniques. The yellow luminescence band in the latter is caused by the isolated BeGa acceptor (the YLBe band), while the broad yellow band in bulk GaN:Be crystals is a superposition of the YLBe band and another band, most likely the CN-related YL1 band. The attribution of the yellow band in bulk GaN:Be crystals to the BeGaON complex (a deep donor) is questioned.
研究了通过高氮压溶液法生长的掺铍块状氮化镓晶体的光致发光(PL),并将其与通过分子束外延和金属有机化学气相沉积技术在蓝宝石上生长的氮化镓:铍层的光致发光进行了比较。后者的黄色发光带是由孤立的 BeGa 受体(YLBe 带)引起的,而块状 GaN:Be 晶体中的宽黄色带是 YLBe 带和另一个带(很可能是与 CN 有关的 YL1 带)的叠加。将块状 GaN:Be 晶体中的黄带归因于 BeGaON 复合物(一种深度供体)的观点受到了质疑。
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引用次数: 0
Surface Characterization and Bulk Property Analysis of Aluminum Powders Treated with Hydrophobic Coatings: Stearic Acid and Phenyl-Phosphonic Acid 用疏水涂层处理的铝粉的表面特征和块状特性分析:硬脂酸和苯基膦酸
Pub Date : 2023-12-22 DOI: 10.3390/solids5010001
B. Ludwig
Stearic and phenyl-phosphonic acids were applied to fine aluminum particles to understand their effect on the surface chemical composition and bulk properties of the surface-treated powders. During the solution phase deposition process, the surface composition changes chemically through a condensation reaction between the acid and particle surface hydroxyl groups, forming covalent chemical bonds. The retention of both types of acids was verified through characterization using Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS). The presence of stearic acid on the particle surface was observed through signature absorbance peaks, including interfacial C-O bonding modes, carboxylate, and carbonyl moieties, all present on both the treated powder. Spectra using XPS showed an increase in -CH relative intensity signal on the particle surface when compared to the raw material when considering the the carbon 2p photoelectron peak. Similar findings confirmed the presence of the phenyl-phosphonic acid when comparing to the raw material. The IR spectrum confirmed the presence of P-O-Al, P-O, and phosponates as a result of the surface bonding between the reagent and particles. XPS always provided evidence through the presence of phosphorous 2p and 2s photoelecton peaks at 191.3 and 133.4 eV, respectively. The bulk properties of both surface treated powders improved, as shown through improved apparent/tap density and a decreased Hausner Ratio (Group C to Group A behavior). Rheological characterization provided additional evidence by showing a reduced specific energy, flow rate index, and cohesion. The particle packing was improved as evidenced through reduced compressibility as a function of applied normal stress.
硬脂酸和苯膦酸被应用于细小的铝颗粒,以了解它们对表面化学成分和表面处理过的粉末的体积特性的影响。在溶液相沉积过程中,酸与颗粒表面羟基发生缩合反应,形成共价化学键,从而使表面成分发生化学变化。通过使用傅立叶变换红外光谱(FTIR)和 X 射线光电子能谱(XPS)进行表征,验证了这两种酸的保留情况。通过特征吸光度峰,包括界面 C-O 键模式、羧酸基和羰基,可以观察到颗粒表面存在硬脂酸,这两种酸都存在于处理过的粉末中。使用 XPS 的光谱显示,与原料相比,在考虑碳 2p 光电子峰时,颗粒表面的 -CH 相对强度信号有所增加。与原料相比,类似的发现也证实了苯膦酸的存在。红外光谱证实了 P-O-Al、P-O 和磷酸盐的存在,这是试剂和颗粒之间表面键合的结果。XPS 通过分别在 191.3 和 133.4 eV 出现的磷 2p 和 2s 光电子峰提供了证据。两种表面处理粉末的体积特性都有所改善,这表现在表观/塔密度的提高和豪斯纳比率的降低(C 组与 A 组的行为)。流变表征提供了更多证据,显示比能、流速指数和内聚力都有所降低。颗粒堆积得到了改善,这体现在作为外加法向应力函数的可压缩性降低。
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引用次数: 0
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