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Growth, characterization and performance of bulk and nanoengineered molybdenum oxides for electrochemical energy storage and conversion 用于电化学储能和转换的大块和纳米氧化钼的生长、表征和性能
IF 5.1 2区 材料科学 Q1 CRYSTALLOGRAPHY Pub Date : 2021-08-01 DOI: 10.1016/j.pcrysgrow.2021.100533
C.V. Ramana , A. Mauger , C.M. Julien
<div><p>Molybdenum oxides (MoO<sub>y</sub>) exhibit quite interesting structural, chemical, electrical, optical and electrochemical properties, which are often dependent on the synthetic procedures and fabrication conditions. The MoO<sub>y</sub> materiails are promising in numerous current and emerging technological applications, which include nanoelectronics, optoelectronics, energy storage and micromechanics. However, fundamental understanding of the crystal structure and engineering the phase and microstructure is the key to achieving the desired properties and performance in all of these applications. Therefore, in this review, an attempt made to provide a comprehensive review by considering the illustrative examples to highlight the fundamental scientific issues, challenges, and opportunities as related to various Mo-oxides applicable to electrochemical energy applications. In the course of development of lithium batteries delivering high-power and high-energy density for powering electric vehicles, here in this paper, we examine the performances of Mo-oxides, which are candidates as electrodes materials primarily for lithium-ion batteries (LIBs), while some aspects considered in sodium-ion batteries (SIBs) or electrochemical supercapacitors (ECs). Due to the wide range of oxidation states (from +6 to +2) they are promising as both positive (cathode) and negative (anode) electrodes of electrochemical cells. Based on their specific structural, chemical, electrical, and optical properties, which are dependent on the growth conditions and the fabrication technique, this review highlights the progress made in improving and understanding the electrochemical performance of MoO<sub>y</sub> compounds. Various materials (2.0 ≤ <em>y</em> ≤ 3.0) including anhydrous, hydrates, nanorods, nanobelts, composites and thin films of MoO<sub>y</sub> are considered. Due to their higher oxidation states, MoO<sub>y</sub> compounds undergo reversible topotactic lithium intercalation reactions; however, electrochemical features appear strongly dependent on the crystal quality and structural arrangement in the host lattice. Using <em>in-situ</em> and <em>ex-situ</em> X-ray diffraction and Raman spectroscopic data, structural characteristics of various MoO<sub>y</sub> are discussed. While the reasons for first-cycle irreversible capacity losses identified and discussed elaborately, the approaches adopted for enhanced performance and/or improvements also summarized. Several sub-stoichiometric MoO<sub>y</sub> positive electrodes exhibit excellent cycle life (up to 300 cycles) with high initial coulombic efficiency (80–90%) and large reversible capacity (>300 mAh g<sup>−1</sup>). Molybdenum oxides also categorized as one of the conversion-type transition-metal oxides and applied as negative electrodes for LIBs and SIBs with a specific capacity approaching 1000 mAh g<sup>−1</sup>. In addition to the discussion of the key aspects of crystal growth, characterization, an
钼氧化物(moy)表现出非常有趣的结构、化学、电学、光学和电化学性质,这些性质往往取决于合成方法和制造条件。MoOy材料在包括纳米电子学、光电子学、能量存储和微观力学在内的许多当前和新兴技术应用中都有前景。然而,对晶体结构的基本理解以及对相和微观结构的工程设计是在所有这些应用中实现所需性能和性能的关键。因此,在这篇综述中,试图通过举例来提供一个全面的综述,以突出与各种氧化钼应用于电化学能源相关的基本科学问题、挑战和机遇。在为电动汽车提供高功率和高能量密度的锂电池的开发过程中,在本文中,我们研究了mo -氧化物的性能,它主要是锂离子电池(lib)的候选电极材料,而钠离子电池(sib)或电化学超级电容器(ECs)则考虑了一些方面。由于氧化态范围广(从+6到+2),它们有希望作为电化学电池的正(阴极)和负(阳极)电极。基于其特定的结构,化学,电学和光学性质,这些性质取决于生长条件和制造技术,本文综述了在改善和理解MoOy化合物电化学性能方面取得的进展。考虑了各种材料(2.0≤y≤3.0),包括无水、水合物、纳米棒、纳米带、复合材料和moy薄膜。由于其较高的氧化态,MoOy化合物发生可逆的拓扑锂嵌入反应;然而,电化学特性似乎强烈依赖于晶体质量和主晶格中的结构排列。利用原位和非原位x射线衍射和拉曼光谱数据,讨论了各种moy的结构特征。在详细确定和讨论了第一周期不可逆容量损失的原因的同时,还总结了为提高性能和/或改进所采取的方法。几种亚化学计量moy正极具有优异的循环寿命(高达300次循环),具有高初始库仑效率(80-90%)和大可逆容量(>300 mAh g - 1)。钼氧化物也被归类为转换型过渡金属氧化物之一,应用于lib和sib的负极,比容量接近1000 mAh g−1。除了讨论晶体生长、表征和结构-性能关系的关键方面外,还提出并讨论了设计氧化钼材料以提高结构稳定性和电化学性能的未来前景。
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引用次数: 10
Progress in-situ synthesis of graphitic carbon nanoparticles with physical vapour deposition 物理气相沉积原位合成石墨碳纳米颗粒的研究进展
IF 5.1 2区 材料科学 Q1 CRYSTALLOGRAPHY Pub Date : 2021-08-01 DOI: 10.1016/j.pcrysgrow.2021.100534
Abdul Wasy Zia , Martin Birkett , Mohsin Ali Badshah , Munawar Iqbal

Graphitic carbon nanoparticles are in high demand for sensing, health care, and manufacturing industries. Physical vapour deposition (PVD) methods are advantageous for in-situ synthesis of graphitic carbon particles due to their ability to produce large area distributions. However, the carbon particles can agglomerate, irrespective of the PVD method, and form coagulated structures while growing inside the vacuum chamber. The random shapes and sizes of these particles lead to non-uniform properties and characteristics, hence making them less attractive for numerous industrial applications, such as energy storage batteries and structural health monitoring. Therefore, the in-situ synthesis of isolated carbon particles produced in a single-step PVD process having control over size, shape, and large area distributions has remained inspiring for the past 30 years. This article gives an overview of characteristics, applications, industrial impact, and global revenue of graphite particles. A critical review on in-situ growth of graphitic carbon particles with different PVD methods is described with selected examples. A comprehensive summary compares the capability of different PVD techniques and corresponding carbon resources to produce graphitic particles with numerous sizes and shapes. Analysing the outputs of various PVD methods, a generalised four-stage model is explained to understand the in-situ growth of graphitic carbon particles, which start from seedings and grow as particles, clusters, and granular structures. It is concluded that the isolated carbon particles can be produced with specific size, shape, and distributions irrespective of the PVD method employed, by maintaining precise control over combinations of deposition system properties and process parameters.

石墨碳纳米颗粒在传感、医疗保健和制造业中有很高的需求。物理气相沉积(PVD)方法有利于原位合成石墨碳颗粒,因为它们能够产生大面积分布。然而,无论PVD方法如何,碳颗粒都可以凝聚,并在真空室中生长时形成凝固结构。这些颗粒的随机形状和大小导致其性质和特性不均匀,因此对储能电池和结构健康监测等许多工业应用不太有吸引力。因此,在过去的30年里,原位合成在单步PVD工艺中产生的分离碳颗粒具有控制尺寸,形状和大面积分布的特性。本文概述了石墨颗粒的特点、应用、工业影响和全球收入。对不同PVD法原位生长石墨碳颗粒的研究进展进行了综述,并列举了一些实例。综合总结比较了不同PVD技术和相应的碳资源生产各种尺寸和形状的石墨颗粒的能力。分析了各种PVD方法的输出,解释了一个广义的四阶段模型,以理解石墨碳颗粒的原位生长,从种子开始,生长为颗粒、簇和颗粒结构。结果表明,通过对沉积系统性能和工艺参数的精确控制,无论采用何种PVD方法,都可以获得具有特定尺寸、形状和分布的分离碳颗粒。
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引用次数: 8
Sapphire waveguides and fibers for terahertz applications 太赫兹应用的蓝宝石波导和光纤
IF 5.1 2区 材料科学 Q1 CRYSTALLOGRAPHY Pub Date : 2021-08-01 DOI: 10.1016/j.pcrysgrow.2021.100523
G.M. Katyba , K.I. Zaytsev , I.N. Dolganova , N.V. Chernomyrdin , V.E. Ulitko , S.N. Rossolenko , I.A. Shikunova , V.N. Kurlov

Sapphire shaped crystals are considered as a favorable material platform of the terahertz (THz) waveguide and fiber optics. Unique physical properties of sapphire, along with advantages of the Edge-defined Film-fed Growth (EFG) technique, yield fabrication of the THz waveguides and fibers with a complex cross-section geometry directly from the Al2O3-melt, where no labour-intensive mechanical processing is required. Wide variability of the as-grown sapphire shaped crystal geometries yields different physical mechanisms of electromagnetic waveguidance. In this review, recent advantages in the THz waveguides and fibers based on the EFG-grown sapphire shaped crystals are discussed. While possessing moderate THz-wave absorbtion and quite high dispersion, flexible sapphire fibers with a simple step-index cross-section geometry yield strong confinement of guided modes in a fiber core due to a high refractive index of sapphire in the THz range. This effect opens novel opportunities of sapphire fibers in high-resolution THz imaging, using the principles of either scanning-probe near-field optical microscopy or optical fiber bundles. In turn, antiresonant and photonic crystal hard hollow-core waveguides demonstrate advanced optical performance, along with wide capabilities in THz endoscopy and sensing in harsh environments. This review highlights that the EFG-grown sapphire shaped crystals hold strong potential in different branches of THz optics.

蓝宝石晶体被认为是太赫兹波导和光纤的良好材料平台。蓝宝石独特的物理特性,以及边缘定义薄膜生长(EFG)技术的优势,可以直接从al2o3熔体中制造具有复杂横截面几何形状的太赫兹波导和光纤,而不需要劳动密集型的机械加工。生长的蓝宝石形状晶体几何形状的广泛可变性产生了不同的电磁波导物理机制。本文综述了基于eeg生长的蓝宝石晶体的太赫兹波导和光纤的最新优势。虽然具有适度的太赫兹波吸收和相当高的色散,但由于蓝宝石在太赫兹范围内的高折射率,具有简单的阶跃折射率截面几何形状的柔性蓝宝石光纤在光纤芯中产生强烈的导模约束。利用扫描探针近场光学显微镜或光纤束的原理,这种效应为蓝宝石纤维在高分辨率太赫兹成像中开辟了新的机会。反过来,抗谐振和光子晶体硬空心波导展示了先进的光学性能,以及在恶劣环境下的太赫兹内窥镜和传感的广泛能力。这一综述强调了eeg生长的蓝宝石形晶体在太赫兹光学的不同分支中具有很强的潜力。
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引用次数: 12
Editorial Board 编辑委员会
IF 5.1 2区 材料科学 Q1 CRYSTALLOGRAPHY Pub Date : 2021-08-01 DOI: 10.1016/s0960-8974(21)00028-0
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引用次数: 0
Synthesis of hexagonal boron nitride: From bulk crystals to atomically thin films 六方氮化硼的合成:从块状晶体到原子薄膜
IF 5.1 2区 材料科学 Q1 CRYSTALLOGRAPHY Pub Date : 2021-05-01 DOI: 10.1016/j.pcrysgrow.2021.100522
J. Marcelo J. Lopes

Hexagonal boron nitride (h-BN) is a wide band gap layered material that is promising for a plethora of applications ranging from neutron detection to quantum information processing. Moreover, it has become highly relevant in the field of two-dimensional crystals and their van der Waals heterostructures due to its multiple functionality as substrate, encapsulation layer, tunneling barrier, or dielectric layer in various device schemes. Hence, controlled synthesis of h-BN has been intensively pursued aiming at its future implementation into different technologies. Herein, recent progress in growth of h-BN, either as bulk crystals or large-area thin films with thicknesses varying from tens of micrometers down to a single atomic layer, is reviewed. A general description of the main methods utilized including their technical aspects is presented in conjunction with the discussion of the material properties determined using well-established characterization tools. Also the main challenges and application prospects of each growth approach are addressed.

六方氮化硼(h-BN)是一种宽带隙层状材料,从中子探测到量子信息处理等广泛应用前景广阔。此外,由于其在各种器件方案中作为衬底、封装层、隧道势垒或介电层的多种功能,它在二维晶体及其范德华异质结构领域变得高度相关。因此,h-BN的可控合成已被深入研究,旨在其未来在不同技术中的实施。本文综述了氢氮化硼生长的最新进展,无论是作为块状晶体还是从几十微米到单原子层厚度不等的大面积薄膜。所使用的主要方法的一般描述,包括其技术方面,并结合使用完善的表征工具确定的材料特性的讨论。讨论了各种增长方式的主要挑战和应用前景。
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引用次数: 21
Bulk single crystals of β-Ga2O3 and Ga-based spinels as ultra-wide bandgap transparent semiconducting oxides β-Ga2O3和ga基尖晶石体单晶作为超宽带隙透明半导体氧化物
IF 5.1 2区 材料科学 Q1 CRYSTALLOGRAPHY Pub Date : 2021-02-01 DOI: 10.1016/j.pcrysgrow.2020.100511
Zbigniew Galazka , Steffen Ganschow , Klaus Irmscher , Detlef Klimm , Martin Albrecht , Robert Schewski , Mike Pietsch , Tobias Schulz , Andrea Dittmar , Albert Kwasniewski , Raimund Grueneberg , Saud Bin Anooz , Andreas Popp , Uta Juda , Isabelle M. Hanke , Thomas Schroeder , Matthias Bickermann

In the course of development of transparent semiconducting oxides (TSOs) we compare the growth and basic physical properties bulk single crystals of ultra-wide bandgap (UWBG) TSOs, namely β-Ga2O3 and Ga-based spinels MgGa2O4, ZnGa2O4, and Zn1-xMgxGa2O4. High melting points of the materials of about 1800 -1930 °C and their thermal instability, including incongruent decomposition of Ga-based spinels, require additional tools to obtain large crystal volume of high structural quality that can be used for electronic and optoelectronic devices. Bulk β-Ga2O3 single crystals were grown by the Czochralski method with a diameter up to 2 inch, while the Ga-based spinel single crystals either by the Czochralski, Kyropoulos-like, or vertical gradient freeze / Bridgman methods with a volume of several to over a dozen cm3. The UWBG TSOs discussed here have optical bandgaps of about 4.6 - 5 eV and great transparency in the UV / visible spectrum. The materials can be obtained as electrical insulators, n-type semiconductors, or n-type degenerate semiconductors. The free electron concentration (ne) of bulk β-Ga2O3 crystals can be tuned within three orders of magnitude 1016 - 1019 cm−3 with a maximum Hall electron mobility (μ) of 160 cm2V−1s−1, that gradually decreases with ne. In the case of the bulk Ga-based spinel crystals with no intentional doping, the maximum of ne and μ increase with decreasing the Mg content in the compound and reach values of about 1020 cm−3 and about 100 cm2V−1s−1 (at ne > 1019 cm−3), respectively, for pure ZnGa2O4.

在开发透明半导体氧化物(TSOs)的过程中,我们比较了超宽带隙(UWBG) TSOs,即β-Ga2O3和ga基尖晶石MgGa2O4、ZnGa2O4和Zn1-xMgxGa2O4的生长和基本物理性质。材料的高熔点约为1800 -1930°C,其热不稳定性,包括ga基尖晶石的不一致分解,需要额外的工具来获得可用于电子和光电子器件的高结构质量的大晶体体积。大块β-Ga2O3单晶可以通过Czochralski法生长,直径可达2英寸,而基于ga的尖晶石单晶可以通过Czochralski法、kyropoulos法或垂直梯度冷冻/ Bridgman法生长,体积可达几至十几cm3。本文讨论的UWBG tso具有约4.6 - 5ev的光学带隙,并且在紫外/可见光谱中具有很高的透明度。所述材料可制成电绝缘体、n型半导体或n型简并半导体。体体β-Ga2O3晶体的自由电子浓度(ne)可在1016 ~ 1019 cm−3三个数量级范围内调节,霍尔电子迁移率最大值为160 cm2V−1s−1,随ne的变化而逐渐减小。在未掺杂的体晶尖晶石晶体中,ne和μ的最大值随着化合物中Mg含量的降低而增加,分别达到1020 cm−3和100 cm2V−1s−1(在ne >纯ZnGa2O4为1019 cm−3)。
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引用次数: 39
Disk-driven flows and interface shape in vertical Bridgman growth with a baffle 带挡板的垂向Bridgman生长中的盘状驱动流动和界面形状
IF 5.1 2区 材料科学 Q1 CRYSTALLOGRAPHY Pub Date : 2021-02-01 DOI: 10.1016/j.pcrysgrow.2020.100512
A.G. Ostrogorsky

In vertical Bridgman (VB) systems, the shape of the S-L interface greatly influences the yield and perfection of single crystal, because of the continuous contact with the crucible. The melt flows and the shape of the S-L interface are difficult to modify and control.

Baffles are flow-directing or obstructing devices. In VB melts, the baffles are disk shaped, and positioned horizontally above the solid-liquid (S-L) interface. The role of the baffle is to: i) minimize the thermally-driven convection ii) control/reduce the axial heat transfer to the S-L interface and iii) generate the disk-driven flows. Furthermore, the baffle acts as a partition, splitting the melt into: the growth melt below the baffle and the feeding melt above the baffle.

Forced convection is a practical alternative to the less feasible and reliable option of completely eliminating thermally-driven unsteady flows. In the Czochralski (CZ) process, the flow driven by crystal rotation is a key control parameter which the VB process lacks. Baffle rotation brings the CZ-like flow into the VB process. The disk-driven flows are optimal for various scientific and engineering applications because the laminar boundary layers at the disk surface are steady and have uniform thickness.

In VB melts, the thermal conductivity of the baffle and its rotation rate dominate the interface shape and thus the yield and perfection of single crystals. Under the rotating baffle, the effects of natural convection can be made negligible in production size melts.

在垂直Bridgman (VB)体系中,由于与坩埚的连续接触,S-L界面的形状对单晶的成品率和完美性有很大的影响。熔体流动和S-L界面形状难以改变和控制。挡板是引导或阻碍流动的装置。在VB熔体中,挡板呈圆盘状,水平放置在固液界面上方。挡板的作用是:i)最小化热驱动对流ii)控制/减少向S-L界面的轴向传热iii)产生盘驱动流动。此外,挡板起到隔板的作用,将熔体分成:生长熔体在挡板下方,进料熔体在挡板上方。强制对流是完全消除热驱动非定常流这种不太可行和可靠的选择的一个实际替代方案。在CZ工艺中,晶体旋转驱动的流量是VB工艺所缺乏的关键控制参数。挡板旋转带来了类似于cz的流动进入VB过程。圆盘驱动的流动是各种科学和工程应用的最佳选择,因为圆盘表面的层流边界层稳定且厚度均匀。在VB熔体中,挡板的导热系数及其旋转速率决定了界面形状,从而决定了单晶的良率和完美性。在旋转挡板下,自然对流对生产尺寸熔体的影响可以忽略不计。
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引用次数: 6
Dilute nitride III-V nanowires for high-efficiency intermediate-band photovoltaic cells: Materials requirements, self-assembly methods and properties 用于高效中间波段光伏电池的稀氮III-V纳米线:材料要求、自组装方法和性能
IF 5.1 2区 材料科学 Q1 CRYSTALLOGRAPHY Pub Date : 2020-11-01 DOI: 10.1016/j.pcrysgrow.2020.100510
Paola Prete , Nico Lovergine

This paper deals with dilute nitride III-V (III-N-V) semiconductor nanowires and their synthesis by bottom-up (so-called self-assembly) methods for application to novel and high efficiency intermediate-band solar cells (IBSCs). Nanowire-IBSCs based on III-N-V compounds promise to overcome many of the limitations encountered so far in quantum-dots or planar-heterostructure IBSCs; indeed, thanks to the combination of IBSC functionality with the unique physical properties associated with nanowires-based devices, photovoltaic cells with unprecedentedly high power conversion efficiency, simpler junction geometry, reduced structural constraints, low materials usage and fabrication costs could be conceived. The fabrication of III-N-V nanowire-IBSCs requires however, careful engineering of the inner nanowire-device structures to comply with both IBSC stringent operational requirements and the peculiar physical properties of III-N-V semiconductor alloys. Herewith, we propose for the first time perspective III-N-V core-multishell nanowire heterostructures as potential candidates to IBSC applications, their fabrication requiring however, precisely controlled self-assembly technologies. The present status of research on the topic is reviewed, focusing in particular on the bottom-up growth of III-N-V nanowires by molecular beam and metalorganic vapor phase epitaxy methods and properties of as-grown nanostructures. Major results achieved in the current literature and open problems are presented and discussed, along with advantages and limitations of employed self-assembly methods for the fabrication of dilute nitride III-V based nanowire-IBSCs.

本文研究了稀氮化物III-V (III-N-V)半导体纳米线及其自下而上(所谓自组装)合成方法,用于新型高效中频太阳能电池(IBSCs)。基于III-N-V化合物的纳米线-IBSCs有望克服迄今在量子点或平面异质结构IBSCs中遇到的许多限制;事实上,由于IBSC功能与基于纳米线器件的独特物理特性的结合,光伏电池具有前所未有的高功率转换效率,更简单的结几何形状,更少的结构限制,更低的材料使用量和制造成本。然而,制造III-N-V纳米线-IBSC需要对内部纳米线器件结构进行仔细的工程设计,以符合IBSC严格的操作要求和III-N-V半导体合金的特殊物理性质。因此,我们首次提出了III-N-V核-多壳纳米线异质结构作为IBSC应用的潜在候选材料,但它们的制造需要精确控制的自组装技术。综述了该主题的研究现状,重点介绍了分子束和金属有机气相外延法自下而上生长III-N-V纳米线以及生长的纳米结构的性质。本文介绍和讨论了目前文献中取得的主要成果和尚未解决的问题,以及用于制备稀氮III-V基纳米线的自组装方法的优点和局限性。
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引用次数: 12
Atomic-resolution structure imaging of defects and interfaces in compound semiconductors 化合物半导体中缺陷和界面的原子分辨率结构成像
IF 5.1 2区 材料科学 Q1 CRYSTALLOGRAPHY Pub Date : 2020-11-01 DOI: 10.1016/j.pcrysgrow.2020.100498
David J. Smith

This review focuses on the use of atomic-resolution structure imaging in the transmission electron microscope (TEM) to determine atomic arrangements at defects and interfaces in compound semiconductor (CS) thin films and heterostructures. The article begins with a brief overview of relevant sample preparation techniques and a short description of suitable TEM operating modes and some practical requirements for atomic-structure imaging. Atomically-resolved structural defects, including different types of dislocations associated with stacking faults and twin boundaries, are then described. Attention is directed towards isovalent and heterovalent heterostructures with several types of interfacial defects. Critical issues associated with assessing interface abruptness and chemical intermixing, which directly impact proposed CS device applications, are also considered. Finally, ongoing challenges and prospects for future atomic-resolution studies of CS materials are briefly discussed.

本文综述了利用透射电子显微镜(TEM)的原子分辨率结构成像来确定化合物半导体(CS)薄膜和异质结构中缺陷和界面处的原子排列。本文首先简要概述了相关的样品制备技术,并简要描述了合适的TEM工作模式和原子结构成像的一些实际要求。然后描述了原子解决的结构缺陷,包括与层错和孪晶界相关的不同类型的位错。关注的方向是具有几种类型界面缺陷的等价和异价异质结构。还考虑了与评估界面突发性和化学混合相关的关键问题,这些问题直接影响拟议的CS设备应用。最后,简要讨论了当前CS材料原子分辨率研究面临的挑战和前景。
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引用次数: 15
Progress in Modeling of III-Nitride MOVPE iii -氮化物MOVPE模型研究进展
IF 5.1 2区 材料科学 Q1 CRYSTALLOGRAPHY Pub Date : 2020-08-01 DOI: 10.1016/j.pcrysgrow.2020.100486
Martin Dauelsberg , Roman Talalaev

This review provides an introduction to III-Nitrides MOVPE process modeling and its application to the design and optimization of MOVPE processes. Fundamentals of the MOVPE process with emphasis on transport phenomena are covered. Numerical techniques to obtain solutions for the underlying governing equations are discussed, as well as approaches to describe multi-component diffusion for typical regimes during MOVPE. Properties of common industrial MOVPE reactor types like close spaced showerhead reactors, rotating disk reactors and Planetary Reactors are compared in terms of underlying working principles and generic process parameter dependencies.

The main part of the paper is devoted to reviewing gas phase and surface reaction mechanisms during MOVPE. The process design in particular for MOVPE of III-Nitrides is determined by complex gas phase reaction kinetics. Advances in the modeling and predicting of these processes have contributed to understanding and controlling these phenomena in industrial scale MOVPE reactors. Detailed kinetics and simplified surface kinetic approaches describing the incorporation of constituents into multinary solid alloys are compared and a few application cases are presented. Differences in thermodynamic and kinetic properties of multi-layered structures of different compositions such as InGaN, AlGaN can cause enrichment of the adsorbed layer by certain group III atoms (indium in case of InGaN and gallium in case of AlGaN) that translate into specific features of composition profiles along the growth direction.

An intrinsic feature of III-nitride materials is epitaxial strain that shows up in different forms during growth and affects both deposition kinetics and material quality. In case of InGaN MOVPE there is a strong interplay between indium content and strain that has direct influence on distribution of material composition in the epitaxial layers and multi-layered structures. Epitaxial strain can relax via different routes such as nucleation and evolution of the extended defects (dislocations), layer cracking and roughening of the surface morphology. Simulation approaches that address coupling of growth kinetics with strain and defect dynamics are discussed and exemplified.

本文综述了III-Nitrides移动聚乙烯工艺模型及其在移动聚乙烯工艺设计与优化中的应用。MOVPE过程的基本原理,重点是传输现象。讨论了获得基本控制方程解的数值技术,以及描述MOVPE过程中典型状态的多组分扩散的方法。从基本工作原理和一般工艺参数依赖关系方面,比较了常用工业动聚乙烯反应器类型的性能,如密间隔喷头反应器、旋转盘反应器和行星反应器。论文的主要部分是综述了MOVPE过程中的气相和表面反应机理。特别是iii -氮化物的MOVPE工艺设计是由复杂的气相反应动力学决定的。这些过程的建模和预测的进展有助于理解和控制工业规模MOVPE反应堆中的这些现象。比较了描述组分掺入多元固体合金的详细动力学方法和简化的表面动力学方法,并给出了一些应用实例。不同组成的多层结构,如InGaN、AlGaN等,其热力学和动力学性质的差异会导致某些III族原子(InGaN为铟,AlGaN为镓)在吸附层上富集,并在生长方向上转化为组成谱的特定特征。iii -氮化物材料的一个固有特征是外延应变,外延应变在生长过程中以不同的形式出现,影响沉积动力学和材料质量。在InGaN MOVPE中,铟含量与应变之间存在很强的相互作用,直接影响到外延层和多层结构中材料成分的分布。外延应变可以通过扩展缺陷(位错)的形核和演化、层裂和表面形貌的粗化等不同途径松弛。讨论并举例说明了处理生长动力学与应变和缺陷动力学耦合的模拟方法。
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引用次数: 9
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Progress in Crystal Growth and Characterization of Materials
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