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Impact of RF Sputtering Power on AZO Thin Films for Flexible Electro‐Optical Applications 射频溅射功率对柔性电光用AZO薄膜的影响
IF 1.5 4区 材料科学 Pub Date : 2021-03-15 DOI: 10.1002/crat.202000144
V. Rana, Jeevitesh K. Rajput, T. K. Pathak, P. K. Pal, L. P. Purohit
In the present work, fixed Al (2.5 wt%) doped zinc oxide (ZnO) thin films are fabricated at different radio frequency (RF) power on indium doped tin oxide‐coated polyethylene terephthalate substrate by sputtering techniques. From the X‐ray diffraction (XRD) results it has been observed that all thin films have polycrystalline nature with hexagonal structure. Stress of thin film calculated from XRD measurement is increased from −0.10 × 109 to 0.23 × 109 N m−2 with increase in RF sputtering power. The morphology analyzed by field electron microscopy is observed as irregular sphere for all samples. The estimated values of thickness are 440, 870, 913, and 1086 nm for the films grown at RF sputtering powers 130, 140, 150, and 160 W, respectively. On increasing the RF power from 130 to 160 W, the optical bandgap is decreased from 3.59 to 3.48 eV. The highest conductivity obtained is 2.43 × 102 S m−1 for the sample grown at sputtering power 160 W. The study reveals that there is an impact of sputtering power on the various properties of thin films grown on flexible substrates and these films have wide applications in flexible electro‐optical applications.
在本研究中,采用溅射技术在掺杂铟氧化锡涂层的聚对苯二甲酸乙二醇酯衬底上以不同的射频(RF)功率制备了Al (2.5 wt%)掺杂氧化锌(ZnO)的固定薄膜。X射线衍射(XRD)结果表明,所有薄膜都具有六边形结构的多晶性质。随着射频溅射功率的增加,薄膜的应力从−0.10 × 109 N m−2增加到0.23 × 109 N m−2。通过场电子显微镜观察,所有样品的形貌均为不规则球体。在130、140、150和160 W的射频溅射功率下生长的薄膜厚度的估计值分别为440、870、913和1086 nm。当射频功率从130 W增加到160 W时,光带隙从3.59 eV减小到3.48 eV。当溅射功率为160 W时,样品的最高电导率为2.43 × 102 S m−1。研究表明,溅射功率对在柔性衬底上生长的薄膜的各种性能有影响,这些薄膜在柔性电光应用中具有广泛的应用前景。
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引用次数: 4
Li‐Ion Intercalated Exfoliated WS2 Nanosheets with Enhanced Electrocatalytic Hydrogen Evolution Performance 锂离子插层剥脱WS2纳米片的电催化析氢性能
IF 1.5 4区 材料科学 Pub Date : 2021-03-01 DOI: 10.1002/crat.202000165
L. Tian, H. Qiao, Zongyu Huang, X. Qi
Tungsten disulfide (WS2) as a 2D layered material shows good application in the field of electrocatalysis due to its unique 2D structure, excellent electronic properties, and catalytic activity. However, the electrocatalytic performance of bulk WS2 materials is limited due to the lack of active sites. Hence, a few layers of WS2 nanosheets are prepared by a simple method of lithium (Li)‐ion intercalation exfoliation, and enhanced electrocatalytic hydrogen evolution performance is demonstrated compared to bulk WS2. This method can not only realize the large‐scale preparation of WS2 nanosheets, but also the obtained WS2 nanosheets have a larger lateral size, a good lattice structure, and no chemical impurities remain. Most importantly, it is realized that the reduction in the thickness of WS2 nanosheets will generate additional active sites from the ultrathin planar structure, thereby improving electrocatalytic activity. The exfoliated WS2 nanosheets show a smaller overpotential compared to the bulk WS2, the overpotential is about 320 mV at 10 mA cm–2. This work shows that Li‐ion intercalation exfoliated method is an efficient strategy to prepare 2D nanosheets materials and effectively improve its electrocatalytic performance.
二硫化钨(WS2)作为一种二维层状材料,由于其独特的二维结构、优异的电子性能和催化活性,在电催化领域具有良好的应用前景。然而,由于缺乏活性位点,块状WS2材料的电催化性能受到限制。因此,通过简单的锂离子嵌入剥离方法制备了几层WS2纳米片,与大块WS2相比,电催化析氢性能得到了增强。该方法不仅可以实现WS2纳米片的大规模制备,而且得到的WS2纳米片横向尺寸较大,晶格结构良好,无化学杂质残留。最重要的是,我们认识到WS2纳米片厚度的减小将从超薄的平面结构中产生额外的活性位点,从而提高电催化活性。与本体WS2相比,剥离后的WS2纳米片显示出较小的过电位,在10 mA cm-2下的过电位约为320 mV。研究表明,锂离子插层剥离法是制备二维纳米片材料并有效提高其电催化性能的有效方法。
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引用次数: 6
Masthead: Crystal Research and Technology 3'2021 报头:晶体研究与技术3'2021
IF 1.5 4区 材料科学 Pub Date : 2021-03-01 DOI: 10.1002/crat.202170015
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引用次数: 0
Effect of Atomic Oxygen and Electron Irradiation on the Electronic Structure of KTiOPO4 Crystal 原子氧和电子辐照对KTiOPO4晶体电子结构的影响
IF 1.5 4区 材料科学 Pub Date : 2021-02-12 DOI: 10.1002/crat.202000175
Jian Liu, Yan Lu, Junying Hao
KTiOPO4 (KTP) crystals are prepared by the top‐seeded solution growth method. Effects of space irradiation on KTP crystal structure have been investigated using Space Tribology in‐situ Analysis System: KTP crystal (001) surfaces were irradiated by atomic oxygen (AO) and electron (EL), and the electronic structure was analyzed using X‐ray photoelectron spectroscopy (XPS). The AO has strong oxidizing property which results in decreases in the intensity of C 1s peak. The content of P increases after AO/EL irradiation, while the content of Ti decreases after AO irradiation. The reduced ΔBE (O─P) shows stronger ionicity of P─O bonds after AO/EL irradiation compared with pristine KTP crystal. The deconvolution of O 1s photoemission line reveals that peaks at 530.8–531.0 and 530.1 eV are assigned to O─P and O─Ti bonds, respectively. Additionally, variations in the trend of O─P bond and O─Ti bond contents are resembled to that of P and Ti after AO/EL irradiation.
采用顶种溶液生长法制备了KTiOPO4晶体。利用空间摩擦原位分析系统研究了空间辐照对KTP晶体结构的影响:用原子氧(AO)和电子(EL)对KTP晶体(001)表面进行辐照,并用X射线光电子能谱(XPS)对其电子结构进行分析。AO具有较强的氧化性,导致c1s峰强度降低。AO/EL辐照后P含量升高,而Ti含量降低。还原后的ΔBE (O─P)经AO/EL辐照后,P─O键的离子性比原始的KTP晶体强。对o1s的光电发射谱线进行反褶积分析,发现530.8 ~ 531.0 eV和530.1 eV的峰分别属于O─P键和O─Ti键。此外,O─P键和O─Ti键含量的变化趋势与AO/EL辐照后P和Ti的变化趋势相似。
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引用次数: 1
Theoretical Study on the Effect of Solvent Behavior on Ammonium Dinitramide (ADN)/1,4,7,10,13,16‐Hexaoxacyclooctadecane (18‐Crown‐6) Cocrystal Growth Morphology at Different Temperatures 不同温度下溶剂行为对二酰胺铵(ADN)/1,4,7,10,13,16‐六氧环十六烷(18‐Crown‐6)共晶生长形貌影响的理论研究
IF 1.5 4区 材料科学 Pub Date : 2021-02-12 DOI: 10.1002/crat.202000203
Honglu Xie, Rui‐jun Gou, Shuhai Zhang
The cocrystal of ammonium dinitramide (ADN)/1,4,7,10,13,16‐hexaoxacyclooctadecane (18‐Crown‐6) has effectively reduced the hygroscopicity of ADN. In order to understand the effect of solvent on the crystal growth, the interfacial models of ADN/18‐Crown‐6–ethanol are built and simulated by the molecular dynamics (MD) method at different temperatures (293–323 K, 10 K intervals). The energy, mass density, radial distribution function, and diffusion capacity of solvent are analyzed. The modified attachment energy (MAE) model is employed to study the solvent effect on cocrystal morphology. Results of MD simulation show that ADN/18‐Crown‐6 cocrystal has four important growth surfaces in vacuum, i.e., (2 0 0), (0 0 2), (1 1 0), and (2 0 −2). The binding energy of cocrystal and the absorbed energy of cocrystal–solvent are larger at 293 K than other temperatures. Hydrogen bonding interactions are formed between ADN/18‐Crown‐6 and solvent. More ethanol molecules adsorb on the crystal surface at lower temperatures, and hence the interaction between cocrystal and solvent is stronger. The morphology of ADN/18‐Crown‐6 cocrystal is different at various temperatures. The predicted morphology at 303 K is consistent with experimental shape. Moreover, cocrystal morphology at 293 K is a sphere‐like shape, which may reduce the hygroscopicity of ADN/18‐Crown‐6 cocrystal.
二酰胺铵(ADN)/1,4,7,10,13,16‐六氧环十六烷(18‐Crown‐6)的共晶有效降低了ADN的吸湿性。为了了解溶剂对ADN/18‐Crown‐6 -乙醇晶体生长的影响,建立了ADN/18‐Crown‐6 -乙醇在不同温度(293 ~ 323 K, 10 K区间)下的界面模型,并采用分子动力学(MD)方法进行了模拟。分析了溶剂的能量、质量密度、径向分布函数和扩散能力。采用改进的附着能(MAE)模型研究了溶剂对共晶形貌的影响。MD模拟结果表明,ADN/18‐Crown‐6共晶在真空中具有(2 0 0)、(0 0 2)、(1 0 0)和(2 0−2)四个重要的生长面。在293 K温度下,共晶的结合能和共晶-溶剂的吸收能均大于其他温度。ADN/18‐Crown‐6与溶剂之间形成氢键相互作用。在较低的温度下,更多的乙醇分子吸附在晶体表面,因此共晶与溶剂之间的相互作用更强。ADN/18 - Crown - 6共晶在不同温度下的形貌不同。在303 K时的预测形貌与实验形貌一致。此外,共晶在293 K时呈球形,这可能会降低ADN/18‐Crown‐6共晶的吸湿性。
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引用次数: 9
Growth Kinetics Analysis and Morphological Characterization by Electron Microscopy of Anhydrous Uric Acid Crystals 无水尿酸晶体生长动力学分析及电镜形态表征
IF 1.5 4区 材料科学 Pub Date : 2021-02-10 DOI: 10.1002/crat.202000164
Jesús Chávez‐Reyes, Eduardo Hernández-Cuellar, H. A. González-Ponce, M. G. Rodríguez
In vitro synthesis of uric acid crystals provides an important source to study the process of crystal formation and to understand how the deposition of these crystals induces disease; nevertheless, the described methodologies for the synthesis of uric acid crystals are time‐consuming, depend on the use of high volumes, and the time scale precludes the kinetics study of the crystal growth. In the present work, it is described a fast method for the synthesis of anhydrous uric acid (AUA) crystals using microvolumes, and the crystal growth kinetics is characterized by light field microscopy using nonlinear adjustment. In addition, a crystal morphological characterization by scanning electron microscopy and X‐ray diffraction is made, disclosing that the AUA crystals are arranged in stacked layer sheets with an orthorhombic‐like shape. These results help to understand the phenomenon of crystallization of uric acid, which is a trigger event on the development of uric acid nephrolithiasis.
体外合成尿酸晶体为研究晶体形成过程和了解这些晶体沉积如何诱发疾病提供了重要的来源;然而,所描述的尿酸晶体合成方法是耗时的,依赖于高体积的使用,并且时间尺度排除了晶体生长的动力学研究。本文描述了一种利用微体积快速合成无水尿酸(AUA)晶体的方法,并用非线性调节的光场显微镜对晶体生长动力学进行了表征。此外,通过扫描电镜和X射线衍射对晶体形态进行了表征,发现AUA晶体呈正交状排列在堆叠层片上。这些结果有助于了解尿酸结晶现象,这是尿酸肾结石发展的触发事件。
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引用次数: 0
Prediction of Particle Number Density in Suspension by Measuring the Sizes of Bubbles Generated During Microwave Irradiation 通过测量微波辐照过程中产生的气泡大小来预测悬浮液中的颗粒数密度
IF 1.5 4区 材料科学 Pub Date : 2021-02-08 DOI: 10.1002/crat.202000160
Y. Asakuma, A. Shibatani, Haruka Kan, A. Saptoro
Past studies report that nucleation promotion is induced by quick heating of microwave in nanoparticle synthesis. However, how the nucleation promotion quantitatively affects particle number density is still unclear. In this study, the number density is predicted using bubble size profiles measured under microwave irradiation. This idea is based on a finding that the maximum bubble size during the irradiation is closely related to the particle number density due to homogeneous distribution of microwave absorbance energy to the particles. The results indicate that when solute concentration or anti‐solvent concentration is higher, the particle number density also increases due to the nucleation promotion caused by microwave quick heating. This new approach can be expected as an innovative and rapid method for quantitative estimation of particle number density in microwave‐assisted nanoparticle manufacture.
以往的研究报道,在纳米颗粒合成中,微波的快速加热诱导成核。然而,成核促进如何定量地影响粒子数密度仍不清楚。在本研究中,使用微波辐射下测量的气泡尺寸曲线来预测数字密度。这一想法是基于一项发现,即由于微波吸收能量在粒子上的均匀分布,辐照时的最大气泡尺寸与粒子数密度密切相关。结果表明,当溶质浓度或反溶剂浓度较高时,由于微波快速加热引起的成核促进,颗粒数密度也增加。这种新方法有望成为微波辅助纳米颗粒制造中粒子数密度定量估计的一种创新和快速方法。
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引用次数: 1
Photoluminescence Mechanism in Heavily Si‐Doped GaAsN 重Si掺杂GaAsN的光致发光机理
IF 1.5 4区 材料科学 Pub Date : 2021-02-08 DOI: 10.1002/crat.202000143
Takashi Tsukasaki, Ren Hiyoshi, M. Fujita, T. Makimoto
The photoluminescence (PL) mechanism is discussed for heavily Si‐doped GaAsN, and the evaluation method of electron effective mass (me*) is proposed using its PL peak energy. PL peak energy monotonically decreases as increasing temperature, so the S‐shape characteristic is vanished for this heavily Si‐doped GaAsN as opposed to moderately Si‐doped GaAsN. This result shows that the dominant PL process is an optical transition from the Fermi energy to the top of valence band independent of temperature for this heavily Si‐doped GaAsN, as with degenerate n‐type GaAs. Because PL peak energy is expressed by the sum of bandgap energy, the increased energy of the Burstein–Moss effect, and the decreased energy of the bandgap narrowing, me* is calculated to be 0.098 m0 for this heavily Si‐doped GaAsN with nitrogen composition of 0.6%, where m0 is the electron mass. This result agrees well with previous studies, meaning that the method for estimation of me is effective for dilute GaAsN.
讨论了重掺Si的GaAsN的光致发光机理,并提出了利用其光致发光峰能量评价电子有效质量的方法。随着温度的升高,PL峰值能量单调降低,因此与适度掺Si的GaAsN相比,重掺Si的GaAsN的S形特性消失。这一结果表明,与简并n型GaAs一样,这种重掺Si的GaAsN的主要PL过程是从费米能到价带顶部的光学跃迁,与温度无关。由于PL峰值能量由带隙能量、Burstein-Moss效应增加的能量和带隙缩小减少的能量之和表示,因此对于氮成分为0.6%的重掺Si的GaAsN,计算出me*为0.098 m0,其中m0为电子质量。这一结果与前人的研究结果吻合较好,说明估计me的方法对稀释GaAsN是有效的。
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引用次数: 2
Modulation on Radiative Recombination Rate of CdS Nanobelts by Selective Rare Earth Ions 选择性稀土离子对CdS纳米带辐射复合速率的调制
IF 1.5 4区 材料科学 Pub Date : 2021-02-08 DOI: 10.1002/crat.202000170
Xu Ji, Shuang Cheng
Rare earth ions Er3+, La3+, and Y3+ have been introduced into the lattice of CdS nanobelts (NBs) to modulate its radiative recombination rate (RRR) during photoluminescence (PL) process. It is found that these ions have different quenching effects on the RRRs of direct interband transition and defect related transition. Only the former is greatly reduced through Er3+ doping, however, both of them are suppressed to a certain extent by La3+ and Y3+ doping. It is valuable that specific solid color luminescence can be realized through well‐chosen rare earth ions.
在CdS纳米带(NBs)的晶格中引入稀土离子Er3+、La3+和Y3+,调节其光致发光(PL)过程中的辐射复合率(RRR)。发现这些离子对直接带间跃迁和缺陷相关跃迁的rrr有不同的猝灭作用。只有前者通过Er3+的掺杂大大降低,而La3+和Y3+的掺杂对两者都有一定程度的抑制。选择合适的稀土离子可以实现特定的纯色发光,这是有价值的。
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引用次数: 0
Self‐Assembly Method for Insensitive DAAF/FOX‐7 Composite Crystals with Microspheres Structure 微球结构不敏感DAAF/FOX - 7复合晶体的自组装方法
IF 1.5 4区 材料科学 Pub Date : 2021-02-08 DOI: 10.1002/crat.202000194
Shujie Liu, Bidong Wu, Jia-ni Xie, Zhimin Li, Chongwei An, Jingyu Wang, Xiaodong Li
Highly efficient design for the formulation of explosives is desired for accelerating the development of energetic materials. These investigations are focused on the preparation of the compounds 3,3′‐diamino‐4,4′‐azoxyfurazan (DAAF) and 1,1‐diamino‐2,2‐dinitroethylene (FOX‐7). DAAF/FOX‐7 microspheres are prepared via the self‐assembly method using different mass ratios of DAAF and FOX‐7. Materials Studio is used to analyze the intermolecular binding energy (Ebind) of the composite system. DAAF/FOX‐7 with a mass ratio of 90:10 shows a higher Ebind (183.24 kJ mol−1) and peak temperature at the heating rate of 0 °C min−1 (266.2 °C) than DAAF/FOX‐7 with a mass ratio of 70:30 and DAAF/FOX‐7 with a mass ratio of 80:20; this indicates that DAAF/FOX‐7 (90:10) shows better thermal stability. EXPLO5 is used to analyze the detonation velocity of the composite system, and the detonation velocity of DAAF/FOX‐7 microspheres increase by 0.5 km s−1 compared to that of DAAF. The characteristic drop height of impact sensitivity is more than 100 cm, and this demonstrates that the microspheres exhibit good safety performance. The morphology, crystal structure, thermal decomposition property, and impact sensitivity of the microspheres are investigated and compared. X‐ray diffraction and Fourier transform infrared spectroscopy results indicate that the structure of the DAAF/FOX‐7 composite is not changed compared to that of the raw material.
为了加速高能材料的发展,需要高效的炸药配方设计。这些研究主要集中在化合物3,3 ' -二氨基- 4,4 ' -氮氧呋喃氮(DAAF)和1,1 -二氨基- 2,2 -二亚基乙烯(FOX - 7)的制备上。采用DAAF和FOX‐7的不同质量比,通过自组装方法制备了DAAF/FOX‐7微球。使用Materials Studio分析复合体系的分子间结合能(Ebind)。质量比为90:10的DAAF/FOX‐7比质量比为70:30的DAAF/FOX‐7和质量比为80:20的DAAF/FOX‐7的Ebind (183.24 kJ mol−1)和升温速率为0℃min−1(266.2℃)时的峰值温度更高;这表明DAAF/FOX‐7(90:10)具有更好的热稳定性。利用EXPLO5分析了复合体系的爆速,DAAF/FOX‐7微球的爆速比DAAF提高了0.5 km s−1。冲击敏感性特征落差大于100 cm,表明微球具有良好的安全性能。对微球的形貌、晶体结构、热分解性能和冲击敏感性进行了研究和比较。X射线衍射和傅里叶变换红外光谱结果表明,与原料相比,DAAF/FOX - 7复合材料的结构没有发生变化。
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引用次数: 4
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Crystal Research and Technology
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