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TiO2 nanotubes film/FTO glass interface: Thermal treatment effects TiO2纳米管薄膜/FTO玻璃界面:热处理效果
IF 1.5 4区 材料科学 Q3 MATERIALS SCIENCE, CERAMICS Pub Date : 2022-01-01 DOI: 10.2298/sos2202235v
J. Vujancevic, Andjelika Bjelajac, K. Veltruská, V. Matolín, Z. Siketić, G. Provatas, M. Jakšić, G. Stan, G. Socol, I. Mihăilescu, V. Pavlović, D. Janackovic
Pure Ti films deposited by radio-frequency magnetron sputtering on FTO glass were anodized to fabricate TiO2 nanotubes (NTs) arrays. The TiO2 NTs/FTO samples were sintered at 450, 550 and 630?C, in ambient air. The thermal treatment did not influence the crystal phase composition, preserving in all cases the anatase single phase. As expected, the crystalline anatase quality improved with the annealing temperature. Nevertheless, slight differences in nanotubular morphology, such as the appearance of grains inside the walls, were observed in the case of the sample sintered at 630?C. Chemical analysis by X-ray Photoelectron Spectroscopy of annealed samples revealed the presence of Sn inside TiO2 NTs, due to diffusion of Sn from the substrate to TiO2. For the substrate was used FTO glass whose top layer consists of SnO2 doped with F. Rutherford Backscattering Spectrometry and Time-of-Flight Elastic Recoil Detection Analysis were carried out to study the elemental depth profile of the films. It was found that the temperature of sintering controls the Sn diffusion inside TiO2 film. Sn atoms diffuse towards the TiO2 NTs surface for the samples annealed at 450 and 550?C. The diffusion is however hindered in the case of the heat treatment at 630?C. Besides, the Ti diffusion into the SnO2 underlayer was observed, together with the formation of TiO2/SnO2 interfaces. One then expected but not a great difference in absorption between samples, since all contained anatase phase, as confirmed by Diffuse Reflectance Spectroscopy. A higher amount of Sn was however detected for the sample annealed at 550?C, which accounts for a slight red absorption shift. The importance of controlling the annealing parameters of the anodized TiO2/FTO structures was highlighted through the formation of TiO2-SnO2 interfaces and the Sn insertion from FTO, which can play an essential role in increasing the photoperformances of TiO2 NTs/FTO based structures of photovoltaic cells.
采用射频磁控溅射法在FTO玻璃上沉积了纯钛薄膜,并用阳极氧化法制备了TiO2纳米管阵列。TiO2 NTs/FTO样品分别在450、550和630℃下烧结。C,在环境空气中。热处理不影响晶相组成,在所有情况下均保留锐钛矿单相。正如预期的那样,随着退火温度的升高,锐钛矿的结晶质量得到改善。然而,在630℃烧结的样品中,观察到纳米管形态的细微差异,例如壁内颗粒的外观。通过对退火样品的x射线光电子能谱进行化学分析发现,由于锡从衬底扩散到TiO2中,TiO2 NTs内部存在锡。衬底采用FTO玻璃,其顶层由掺有f的SnO2组成,采用卢瑟福后向散射光谱法和飞行时间弹性后坐力检测分析研究了薄膜的元素深度分布。结果表明,烧结温度控制着锡在TiO2膜内的扩散。在450℃和550℃退火的样品中,Sn原子向TiO2 NTs表面扩散。然而,在630℃热处理时,扩散受到阻碍。此外,还观察到Ti向SnO2下层扩散,并形成TiO2/SnO2界面。然后,人们预计样品之间的吸收差异不大,因为所有样品都含有锐钛矿相,漫反射光谱证实了这一点。然而,在550℃退火的样品中检测到较高的锡含量。C,这解释了轻微的红色吸收位移。通过TiO2- sno2界面的形成和FTO中Sn的插入,强调了控制阳极氧化TiO2/FTO结构退火参数的重要性,这对于提高光伏电池TiO2 NTs/FTO结构的光性能起着至关重要的作用。
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引用次数: 0
The effect of the addition of construction & demolition waste on the properties of clay-based ceramics 掺加建筑垃圾对粘土基陶瓷性能的影响
IF 1.5 4区 材料科学 Q3 MATERIALS SCIENCE, CERAMICS Pub Date : 2022-01-01 DOI: 10.2298/sos2203359a
B. Angjusheva, V. Ducman, E. Fidanchevski
Waste glass and reclaimed brick are types of construction and demolition waste (C&DW) that could potentially be used as secondary raw materials in the production of ceramics. Ceramics based on clay, waste demolished brick (5-15 wt.%) and waste glass (5-20 wt.%) were produced by pressing (P = 68 MPa) and subsequently sintered at 900, 950, 1000, and 1050 oC for one hour. The physical and mechanical properties of the ceramics obtained were evaluated. The addition of demolished brick decreased the density and mechanical properties of the clay specimens and increased the water absorption. The incorporation of waste glass improved the sintering behavior and its mechanical properties. The addition of 20 wt.% waste glass and 10 wt.% waste demolished brick into the clay matrix improved the flexural strength by up to 20.6 % and decreased the water absorption by up to 22 %. The approach presented promotes an opportunity to recycle construction and demolition waste into alternative resource materials, and represents a positive contribution to the environment.
废玻璃和再生砖是建筑和拆除垃圾(C&DW)的类型,可能被用作陶瓷生产的二次原料。以粘土、废拆砖(5-15 wt.%)和废玻璃(5-20 wt.%)为原料,通过压压(P = 68 MPa)生产陶瓷,随后在900、950、1000和1050℃下烧结1小时。对所得陶瓷的物理力学性能进行了评价。拆除砖的加入降低了粘土试件的密度和力学性能,增加了吸水率。废玻璃的掺入改善了烧结性能和力学性能。在粘土基体中加入20%的废玻璃和10%的废拆除砖,其抗折强度提高了20.6%,吸水率降低了22%。所提出的方法促进了将建筑和拆除废物回收为替代资源材料的机会,并代表了对环境的积极贡献。
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引用次数: 1
Influence of calcination temperature on physical and optical properties of nickel chromite nanoparticles 煅烧温度对镍铬铁矿纳米颗粒物理光学性能的影响
IF 1.5 4区 材料科学 Q3 MATERIALS SCIENCE, CERAMICS Pub Date : 2022-01-01 DOI: 10.2298/sos2204457k
K. Kumar, S. Bhavani
Nickel chromite nanoparticles were prepared by sol-gel auto combustion method followed by calcination at different temperatures, 700, 900, 1100 and 1300oC for 8h. The prepared nanoparticles were characterized by XRD, SEM, EDS, FTIR and UV-Vis spectroscopy. From the XRD patterns, the Miller indices (hkl) were identified for all the prominent peaks for all the samples, it was clear that the compound crystallized according to spinel structure with a space group of Fd3m. SEM images showed non-uniform agglomerated fragments having a lot of voids and pores. UsingScherrer method, the crystallite size was calculated and found gradually increasing trend with the calcination temperature from 13.73 to 22.33 nm, where as the average grain size was increased from 140.00 to 163.46 nm with calcination temperature. FTIR spectra showed six fundamental absorption bands in the range 500 to 3470 cm-1, whereas the two absorption bands in the range 500-625 cm-1 confirmed the bonding vibrations of metal-oxygen bonds situated at octahedral and tetrahedral sites. UV-Vis spectroscopy was carried out in the wavelength range 200-800 nm and the optical band gap (Eg) was observed in the range 4.2129-4.3115 eV.
采用溶胶-凝胶自燃烧法制备镍铬铁矿纳米颗粒,分别在700、900、1100、1300℃不同温度下煅烧8h。采用XRD、SEM、EDS、FTIR和UV-Vis光谱对制备的纳米颗粒进行了表征。从XRD谱图上可以看出,所有样品的突出峰均有Miller指数(hkl),化合物的结晶结构为尖晶石结构,具有Fd3m空间群。扫描电镜(SEM)显示,碎片凝聚不均匀,存在大量空隙和孔隙。采用scherrer法计算晶粒尺寸,发现随着煅烧温度从13.73 nm增加到22.33 nm,晶粒尺寸逐渐增大,平均晶粒尺寸从140.00 nm增加到163.46 nm。FTIR光谱在500 ~ 3470 cm-1范围内显示了6个基本吸收带,而500 ~ 625 cm-1范围内的2个吸收带证实了位于八面体和四面体位置的金属-氧键的键合振动。在200 ~ 800 nm波长范围内进行紫外可见光谱分析,在4.2129 ~ 4.3115 eV范围内观察到光学带隙(Eg)。
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引用次数: 0
A possible connection between phosphate tungsten bronzes properties and Briggs-Rauscher oscillatory reaction response 磷酸钨青铜性质与布里格斯-劳舍尔振荡反应响应之间的可能联系
IF 1.5 4区 材料科学 Q3 MATERIALS SCIENCE, CERAMICS Pub Date : 2021-05-15 DOI: 10.2298/sos2102223m
Tijana Maksimovic, J. Maksimović, P. Tančić, N. Potkonjak, Z. Nedić, Ljubinka G. Joksović, Maja C. Pagnacco
The calcium phosphate tungsten bronze (Ca-PWB) has been synthesized and characterized (TGA, DSC, XRPD, FTIR, SEM). The influence of solid insoluble materials Ca- PWB, as well as lithium doped (Li-PWB) and cation free phosphate tungsten (PWB) bronzes on the oscillatory Briggs-Rauscher (BR) reaction dynamics, is compared. The results show that doping with Li and Ca reduces sensitivity of the BR reaction towards bronzes addition. These findings suggest the usage of the BR reaction as an innovative method for testing of different properties of bronze material. The behavior of PWB in the BR reaction is significantly changed with divalent cation (Ca2+) doping. The reasons for the different bronzes behavior were found in their calculated unit cell volumes. Namely, the compressed Ca-PWB unit cell volume indicates the difficult availability of the active site for heterogeneous catalysis. Hence, the linear correlation (slope) of the BR oscillogram?s length (?osc) vs. mass of bronze in BR reaction might be considered as a new parameter for the evaluation of the bronzes catalytic activity.
合成了磷酸钙钨青铜(Ca-PWB),并对其进行了表征(TGA、DSC、XRPD、FTIR、SEM)。比较了固体不溶性材料Ca- PWB、掺杂锂(Li-PWB)和无阳离子磷酸钨(PWB)青铜对振荡brigs - rauscher (BR)反应动力学的影响。结果表明,Li和Ca的掺入降低了BR反应对青铜的敏感性。这些发现表明BR反应是一种测试青铜材料不同性能的创新方法。二价阳离子(Ca2+)的掺入显著改变了PWB在BR反应中的行为。青铜器不同行为的原因在于它们计算的单位胞体积。也就是说,压缩的Ca-PWB单元胞体积表明多相催化的活性位点难以获得。因此,BR示波器的线性相关(斜率)?BR反应中铜的长度(?osc)与质量的关系可以作为评价青铜催化活性的新参数。
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引用次数: 2
Assessment of efficiency of rare earth elements recovery from lignite coal combustion ash via five-stage extraction 褐煤燃烧灰五段萃取回收稀土元素效率评价
IF 1.5 4区 材料科学 Q3 MATERIALS SCIENCE, CERAMICS Pub Date : 2021-05-15 DOI: 10.2298/sos2102169m
Ljiljana Miličić, A. Terzic, L. Pezo, N. Mijatović, I. Brčeski, N. Vukelic
Rare earth elements (REE) are frequently referred to as ingredients for enhancements in modern industry, as they are extensively applied in many industrial branches due to their accented electro-magnetic and optical properties. REE have end-utilizations as catalysts, magnets, and as dopants for ceramic materials. Rare earth minerals are scarce therefore the unconventional REE-containing resources such as waste materials and industrial byproducts are continuously being investigated. Coal combustion products comprise REE concentrations varying between 200 ppm and 1500 ppm. This quantity can be isolated though the extraction procedure. In this study, the five stages extraction was conducted on the coal combustion ash from the selected landfill site. The extractions of 32 elements (As, Ga, Ce, Be, Ge, Nd, Cr, Zr, Eu, Cu, Nb, Gd, Co, Mo, Dy, Li, Ag, W, Mn, Cd, Au, Ni, In, Hg, Pb, Sn, Tl, V, Sb, Th, Zn, and La) were conveyed. Chemical analyses were conducted via XRF, ICP-OES, ICP-MS, and AAS techniques. The complexity of the obtained data was examined by Principal component analysis and Cluster analysis in order to derive interconnections between quantity of elements and landfill characteristics, as well as mutual relationships among the elements of interest, and to assess the accomplishment of REE recovery from the coal ash.
稀土元素(REE)由于其突出的电磁和光学特性而被广泛应用于许多工业部门,因此在现代工业中经常被称为增强成分。稀土有催化剂、磁铁和陶瓷材料的掺杂剂等最终用途。稀土矿物是稀缺的,因此,诸如废料和工业副产品等非常规含稀土资源正在不断得到研究。煤燃烧产物中稀土元素的浓度在200 ppm至1500 ppm之间变化。这个量可以通过提取过程分离出来。在本研究中,对选定的垃圾填埋场的燃煤灰分进行了五阶段提取。提取32种元素(As、Ga、Ce、Be、Ge、Nd、Cr、Zr、Eu、Cu、Nb、Gd、Co、Mo、Dy、Li、Ag、W、Mn、Cd、Au、Ni、In、Hg、Pb、Sn、Tl、V、Sb、Th、Zn、La)。化学分析采用XRF, ICP-OES, ICP-MS和AAS技术。通过主成分分析和聚类分析对所获得数据的复杂性进行了检验,以得出元素数量与填埋特征之间的相互联系,以及感兴趣元素之间的相互关系,并评估从煤灰中回收稀土元素的完成情况。
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引用次数: 1
Preparation, microstructure studies and mechanical properties of glazes ceramic sanitary ware based on kaolin 高岭土陶瓷卫生洁具釉料的制备、微观结构及力学性能研究
IF 1.5 4区 材料科学 Q3 MATERIALS SCIENCE, CERAMICS Pub Date : 2021-05-15 DOI: 10.2298/sos2102209b
Sa. Benkacem, K. Boudeghdegh, F. Zehani, M. Hamidouche, Y. Belhocine
In this paper, the use of local kaolin coming from Djebel Debbagh (denoted DD1) in the composition of ceramic glazes for sanitary ware was examined. Because of its natural abundance, low price and good characteristics, this kaolin represents an interesting economic alternative to other mineral clays. The chemical composition showed that this kaolin contains 38.49 wt.% Al2O3 and 44.85 wt.% SiO2. Two glazes based on kaolin DD1 denoted as GaDD1 and GbDD1 were prepared with conventional ceramic processing techniques at temperature 1250 oC. As a reference, another glaze (Gref) based on kaolin Remblend was also prepared in the same conditions. The samples were characterized with X-ray diffraction and Scanning Electron Microscope. The results revealed that zircon and quartz are the crystalline phases present in these glazes. In the sample GaDD1, it was found that the degree of whiteness is very high and reaches 93.30 %. However, the water absorption coefficient is low which is about 0.19 ? 0.04 %. In addition, the flexural strength and the Vickers microhardness are respectively, about 56.07 ? 5.61 MPa and 7952.80 ? 101.76 MPa. These properties are compatible with those of the glaze reference Gref and commercial sanitary ware glazes, indicating the potential use of kaolin DD1 in the production of glazed ceramic for sanitary ware applications.
本文研究了来自Djebel Debbagh的当地高岭土(记为DD1)在卫生陶瓷釉料组成中的应用。由于其天然丰富、价格低廉和良好的特性,这种高岭土是其他矿物粘土的一种有趣的经济替代品。化学组成表明该高岭土含有38.49重量%的Al2O3和44.85重量%的SiO2。采用传统陶瓷加工技术,在1250℃的温度下制备了两种基于高岭土DD1的釉料,分别称为GaDD1和GbDD1。作为参考,也在相同的条件下制备了另一种基于高岭土Remblend的釉料(Gref)。用X射线衍射仪和扫描电镜对样品进行了表征。结果表明,锆石和石英是这些釉料中存在的结晶相。在样品GaDD1中,发现白度非常高并且达到93.30%。然而,吸水系数较低,约为0.19?0.04%。此外,弯曲强度和维氏显微硬度分别约为56.07?5.61MPa和7952.80?101.76兆帕。这些性能与釉料参考Gref和商业卫生陶瓷釉料的性能兼容,表明高岭土DD1在生产卫生陶瓷应用中的潜在用途。
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引用次数: 2
Incandescent combustion synthesis of nanomagnetic Ni/NiO composites 纳米磁性Ni/NiO复合材料的白炽燃烧合成
IF 1.5 4区 材料科学 Q3 MATERIALS SCIENCE, CERAMICS Pub Date : 2021-05-15 DOI: 10.2298/sos2102155d
N. Deraz
This study is the first attempt to large-scale energy-efficient production of nanomagnetic Ni/NiO composites by using the autocombustion based on leaves or extract of corchorus olitorius. The as synthesized product can be characterized by using XRD, SEM, TEM and EDX techniques. The results confirm that the as synthesized materials consisted entirely of well crystalline Ni and NiO phases. The crystallinity of both Ni and NiO enhanced by increasing amount of the corchorus olitorius. However, the corchorus olitorius - treatment resulted in an increase in the crystallite size and lattice constant. The SEM analysis confirms formation of fragile, fluffy and spongy networks. The average of grain size for the as prepared particles was found to be 45 nm in agreement with the trend of the crystallite size calculated by using XRD technique. Furthermore, changing of nature and content of the corchorus olitorius brought about progressive modifications in the magnetic properties, namely, Ms, Mr, Mr/Ms, Hc and Ka, of the fabricated Ni/NiO nanocomposite according to the structural, morphological as well as microstructural variation. The saturation magnetization (Ms) of the sample with corchorus olitorius leaves was found to be 0.2383 emu/g while the Ms with corchorus olitorius extract was found to 6.977 emu/g. This was discussed in the light of finite size, surface and interface effects. Thus, we unveil a new approach for incandescent combustion synthesis via an innate approach for corchorus olitorius leaves in the directly fabrication for different nanocomposites.
本研究首次尝试了大规模节能生产纳米磁性Ni/NiO复合材料,该复合材料是基于corcorus olitorius叶片或提取物的自燃烧制备的。通过XRD、SEM、TEM和EDX等技术对合成产物进行了表征。结果表明,合成的材料完全由Ni和NiO相组成。随着熔渣用量的增加,Ni和NiO的结晶度均有所提高。结果表明,在此条件下,晶体尺寸增大,晶格常数增大。扫描电镜分析证实了脆弱、蓬松和海绵状网络的形成。所得颗粒的平均晶粒尺寸为45 nm,与XRD技术计算的晶粒尺寸趋势一致。此外,随着石螺的性质和含量的改变,制备的Ni/NiO纳米复合材料的磁性能Ms、Mr、Mr/Ms、Hc和Ka从结构、形态和微观结构上都发生了变化。山茱萸叶样品的饱和磁化强度Ms为0.2383 emu/g,山茱萸提取物样品的饱和磁化强度Ms为6.977 emu/g。这是在有限尺寸、表面和界面效应的情况下讨论的。因此,我们揭示了一种白炽灯燃烧合成的新方法,通过一种天然方法直接制造不同的纳米复合材料。
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引用次数: 3
Structural and optical properties of HDPE implanted with medium fluences silver ions 介质影响银离子注入HDPE的结构和光学性质
IF 1.5 4区 材料科学 Q3 MATERIALS SCIENCE, CERAMICS Pub Date : 2021-05-15 DOI: 10.2298/sos2102187n
M. Nenadovic, Danilo Kisić, M. Mirković, S. Nenadović, Ljiljana M. Kljajević
The implantation of high-density polyethylene (HDPE) has been conducted using Ag+ ions with energy of 60 keV, achieved fluences 1.5 and 10?1015 ions/cm2. Transmission electron microscopy (STEM) and field emission gun - scanning electron microscopy (FEG-SEM) showed the existence of nanoparticle clusters. X ray photoelectron spectroscopy (XPS) revealed the presence of silver in the sample surface region. The surface topography was studied by atomic force microscopy (AFM), while the surface composition uniformity was analyzed using phase imaging AFM. Optical characterization obtained by spectroscopic ellipsometry (SE) showed changes in refractive index, extinction coefficient and the optical band gap with the fluence of implanted ions.
用能量为60keV的Ag+离子进行了高密度聚乙烯(HDPE)的注入,获得了1.5和10?1015个离子/cm2。透射电子显微镜(STEM)和场发射枪扫描电子显微镜(FEG-SEM)显示了纳米颗粒团簇的存在。X射线光电子能谱(XPS)揭示了样品表面区域中存在银。用原子力显微镜(AFM)研究了表面形貌,用相位成像AFM分析了表面成分的均匀性。通过光谱椭圆偏振法(SE)获得的光学特性显示,折射率、消光系数和光学带隙随着注入离子的注量而变化。
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引用次数: 1
Effect of TiO2 in fine zircon sintering and properties TiO2在细粒锆石烧结中的作用及性能
IF 1.5 4区 材料科学 Q3 MATERIALS SCIENCE, CERAMICS Pub Date : 2021-05-15 DOI: 10.2298/sos2102267g
M. Gauna, Juan Martinez, M. S. Conconi, G. Suarez, N. Rendtorff
The effect of the TiO2 addition in the ceramic processing of dense zircon materials from zircon fine powders was established. The addition of TiO2 (5-10 wt%) permitted to obtain dense ceramics at lower temperatures (100-150 oC below), with comparable mechanical behavior. The thermochemical processes were described after a multi-technique experimental approach, which included a sintering analysis, powder X-Ray diffraction analysis (XRD), scanning electronic microscopy (SEM) and Vickers hardness of the polished dense obtained ceramics. After 1400 oC heating programs, the added TiO2 acts as a sintering aid with no important chemical reactions, and presented improved mechanical behavior in comparison with pure zircon ceramics. On the other side, in samples fired at 1500 oC, TiO2 partially (?50 %) reacts with zircon, forming ZrTiO4, while the formed SiO2 goes to the grain boundaries. Samples with 5 wt% TiO2 present better mechanical behavior than the ones with 10 wt%. The performed mechanical characterization indicates the merits of the material processed by this inexpensive processing route. Developed density, hardness (?10 GPa) and fracture toughness (?2 MPa.m-1/2) are comparable with the best figures reported.
研究了在锆英石细粉中添加TiO2对锆英石致密材料陶瓷加工的影响。添加TiO2 (5-10 wt%)可以在较低温度(100-150℃以下)下获得致密的陶瓷,具有类似的机械性能。通过烧结分析、粉末x射线衍射分析(XRD)、扫描电镜(SEM)和维氏硬度等多技术实验方法,描述了抛光致密陶瓷的热化学过程。经过1400℃的加热程序后,添加的TiO2作为助烧结剂,没有发生重要的化学反应,与纯锆石陶瓷相比,其力学性能有所改善。另一方面,在1500℃下烧制的样品中,TiO2部分(?50%)与锆石反应生成ZrTiO4,生成的SiO2走向晶界。TiO2质量分数为5 wt%的样品比TiO2质量分数为10 wt%的样品表现出更好的力学性能。所进行的力学表征表明了通过这种廉价的加工路线加工的材料的优点。显影密度、硬度(?10 GPa)和断裂韧性(?2 MPa.m-1/2)与报告的最佳数字相当。
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引用次数: 1
TEM and DFT study of basal-plane inversion boundaries in SnO2-doped ZnO SnO2掺杂ZnO衬底平面反转边界的TEM和DFT研究
IF 1.5 4区 材料科学 Q3 MATERIALS SCIENCE, CERAMICS Pub Date : 2021-05-15 DOI: 10.2298/sos2102237r
Vesna Ribić, A. Rečnik, G. Dražič, M. Podlogar, Z. Branković, G. Branković
In our recent study (Ribic et al. 2020) we reported the structure of inversion boundaries (IBs) in Sb2O3-doped ZnO. Here, we focus on IBs that form in SnO2-doped ZnO. Using atomic resolution scanning transmission electron microscopy (STEM) methods we confirm that in SnO2-doped ZnO the IBs form in head-to-head configuration, where ZnO4 tetrahedra in both ZnO domains point towards the IB plane composed of a close-packed layer of octahedrally coordinated Sn and Zn atoms. The in-plane composition is driven by the local charge balance, following Pauling's principle of electroneutrality for ionic crystals, according to which the average oxidation state of cations is 3+. To satisfy this condition, the cation ratio in the IB-layer is Sn4+: Zn2+=1:1. This was confirmed by concentric electron probe analysis employing energy dispersive spectroscopy (EDS) showing that Sn atoms occupy 0.504 ? 0.039 of the IB layer, while the rest of the octahedral sites are occupied by Zn. IBs in SnO2-doped ZnO occur in the lowest energy, IB3 translation state with the cation sublattice expansion of ?IB(Zn-Zn) of +91 pm with corresponding O-sublattice contraction ?IB(O-O) of -46 pm. Based on quantitative HRTEM and HAADF-STEM analysis of in-plane ordering of Sn and Zn atoms, we identified two types of short-range distributions, (i) zigzag and (ii) stripe. Our density functional theory (DFT) calculations showed that the energy difference between the two arrangements is small (~6 meV) giving rise to their alternation within the octahedral IB layer. As a result, cation ordering intermittently changes its type and the direction to maximize intrinsic entropy of the IB layer driven by the in-plane electroneutrality and 6-fold symmetry restrictions. A long-range in-plane disorder, as shown by our work would enhance quantum well effect to phonon scattering, while Zn2+ located in the IB octahedral sites, would modify the bandgap, and enhance the in-plane conductivity and concentration of carriers. Keywords
在我们最近的研究(Ribic et al. 2020)中,我们报道了sb2o3掺杂ZnO的反转边界(IBs)结构。在这里,我们关注的是在sno2掺杂ZnO中形成的IBs。利用原子分辨率扫描透射电子显微镜(STEM)方法,我们证实了在sno2掺杂的ZnO中,IB形成头对头构型,其中两个ZnO结构域的ZnO4四面体指向由八面体配位的Sn和Zn原子紧密堆积层组成的IB平面。面内组成由局部电荷平衡驱动,遵循鲍林离子晶体的电中性原理,根据该原理,阳离子的平均氧化态为3+。为了满足这一条件,ib层中的阳离子比为Sn4+: Zn2+=1:1。利用能谱(EDS)的同心电子探针分析证实了这一点,表明Sn原子占据了0.504 ?而其余的八面体位被Zn占据。sno2掺杂ZnO中的IBs发生在能量最低的IB3平移态,阳离子亚晶格扩展- IB(Zn-Zn)为+91 pm,对应的o -亚晶格收缩- IB(O-O)为-46 pm。基于定量HRTEM和HAADF-STEM对Sn和Zn原子的面内有序分析,我们确定了两种短程分布类型,即(i)之字形和(ii)条纹。我们的密度泛函理论(DFT)计算表明,这两种排列之间的能量差很小(~6 meV),导致它们在八面体IB层内交替。结果表明,在平面内电中性和6重对称约束的驱动下,阳离子的排序会间歇性地改变其类型和方向,从而使IB层的本征熵最大化。我们的工作表明,长程面内无序会增强量子阱对声子散射的效应,而位于IB八面体位置的Zn2+会改变带隙,提高载流子的面内电导率和浓度。关键字
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引用次数: 3
期刊
Science of Sintering
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