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Influence of gadolinium doping on structural properties of carbon nanotubes 钆掺杂对碳纳米管结构性能的影响
IF 0.7 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-03-20 DOI: 10.15330/pcss.24.1.153-158
Rashad Gabil Abaszade, M. Babanli, V. Kotsyubynsky, A. Mammadov, E. Gür, О. Kapush, M. Stetsenko, R. Zapukhlyak
The paper presents an analysis of SEM, EDX, Raman scattering, and FTIR of Gadolinium-doped multi-walled carbon nanotubes obtained by hydrothermal method. The morphological characteristics of the materials were studied and their compositions were analyzed. Hydrothermal doping of MWCNs with Gd causes the formation of 3D network architecture and sharply increases the content of oxygen surface functionality. An unidentified intense broad peak for Gd-doped material at 2940 cm-1 was observed. The defect state of Gd-doped MWCNTs was studied by Raman spectroscopy.
本文对水热法制备的掺钆多壁碳纳米管进行了SEM、EDX、拉曼散射和FTIR分析。研究了材料的形态特征,并对其成分进行了分析。水热掺杂Gd使MWCNs形成三维网络结构,氧表面官能团含量急剧增加。在2940 cm-1处观察到一个未知的强宽峰。利用拉曼光谱研究了掺杂gd的MWCNTs的缺陷态。
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引用次数: 0
Solar cells based on CdTe thin films (Part II) 基于CdTe薄膜的太阳能电池(二)
IF 0.7 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-03-14 DOI: 10.15330/pcss.24.1.134-145
T. Mazur, M. Mazur, I. Vakaliuk
This paper discusses the use of semiconductor solar cells based on thin-film cadmium telluride (CdTe) in modern energy production. The advantages and disadvantages of using CdTe thin-film solar cells are analyzed, and arguments are presented in favor of the implementation of mass production technologies for CdTe solar modules, which can compete with silicon analogs in terms of compromise between efficiency and cost. The physical and chemical properties of the binary Cd-Te system are described, and the relationship between the physical, chemical, electrical, and optical properties of CdTe is analyzed, making it attractive for use in thin-film solar cells. Special attention is given to the investigation of photovoltaic properties, which are important parameters for determining photoconductivity, and the advantages and disadvantages of CdTe film photovoltaic properties are discussed. CdTe thin-film heterostructures (HSs), which are important components of modern solar cells, are considered, and their main advantages and disadvantages are described. It is argued that simple methods of manufacturing and forming HSs, which do not require complex and expensive equipment, are an important advantage of CdTe-based solar cell technology.
本文讨论了基于薄膜碲化镉(CdTe)的半导体太阳能电池在现代能源生产中的应用。分析了CdTe薄膜太阳能电池的优点和缺点,并提出了支持大规模生产CdTe太阳能电池组件技术的论点,该技术可以在效率和成本之间达成妥协,与硅类似物竞争。描述了二元Cd-Te体系的物理和化学性质,并分析了CdTe的物理、化学、电学和光学性质之间的关系,使其在薄膜太阳能电池中的应用具有吸引力。重点研究了光伏性能,这是决定光导率的重要参数,并讨论了CdTe薄膜光伏性能的优缺点。介绍了碲化镉薄膜异质结构(HSs)作为现代太阳能电池的重要组成部分,并介绍了其主要优点和缺点。有人认为,制造和形成HSs的简单方法,不需要复杂和昂贵的设备,是基于cdte的太阳能电池技术的一个重要优势。
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引用次数: 0
A theoretical model for estimation of work function reduction for MXenes with hydroxyl termination 具有羟基终止的MXenes的功函数还原的理论模型
IF 0.7 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-03-12 DOI: 10.15330/pcss.24.1.102-105
M. Strikha, D. V. Antoniuk
This article presents a simple model that explains significant reduction of work function in MXenes Тіn+1Сn with hydroxyl termination and demonstrates matching results to ones in the existing literature, obtained via complex computing based on the first principles. This model can be applied for results evaluation of the hydroxyfunctionalization of various MXene types, due to prospects of the creation of novice emission electronics devices.
本文提出了一个简单的模型,解释了MXenes Тіn+1Сn中羟基终止的功函数的显着减少,并展示了与现有文献中的结果相匹配的结果,这些结果是通过基于第一原理的复杂计算获得的。该模型可用于各种MXene类型羟基功能化的结果评价,具有开发新型发射电子器件的前景。
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引用次数: 1
The Transport phenomena in CdTe:Cl and CdTe:Cu - calculation from the first principles CdTe:Cl和CdTe:Cu中的输运现象——从第一性原理计算
IF 0.7 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-03-12 DOI: 10.15330/pcss.24.1.126-133
O. Malyk
In the presented article the method of determining the energy spectrum, the wave function of the charge carrier and the crystal potential in CdTe at an arbitrarily given temperature is considered. Using this approach within the framework of the supercell method the temperature dependences of the ionization energies of various types of defects caused by the introduction of chlorine and copper impurities in cadmium telluride are calculated. Also the offered method allows to define the temperature dependence   of the optical and acoustic deformation potentials and as well as the dependence on the temperature the charge carrier’s scattering parameters on ionized impurities, polar optical, piezooptic and piezoacoustic phonons. Within the framework of short-range scattering models the temperature dependences of the charge carrier’s mobility and Hall factor are considered.
本文讨论了在任意给定温度下确定碲化镉能谱、载流子波函数和晶体势的方法。利用这种方法,在超级单体方法的框架内,计算了碲化镉中引入氯和铜杂质引起的各种类型缺陷的电离能的温度依赖性。此外,所提供的方法允许定义光学和声学变形势的温度依赖性,以及电荷载流子的散射参数对电离杂质、极性光学、压电光学和压电声学声子的温度依赖性。在短程散射模型的框架内,考虑了载流子迁移率和霍尔因子的温度依赖性。
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引用次数: 0
Adsorption of Sr(II) cations onto titanium dioxide, doped with Boron atoms 掺杂硼原子的二氧化钛对Sr(II)阳离子的吸附
IF 0.7 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-03-12 DOI: 10.15330/pcss.24.1.114-125
I. Mironyuk, H. Vasylyeva, Iryna Prokipchuk, I. Mykytyn
The adsorption of Sr(II) cations by Boron-doped TiO2 was investigated.  The adsorbent samples were obtained by liquid-phase sol-gel method using the aqua complex precursor [Ті(ОН2)6]3+‧3Cl- and modifying reagent hydrogen borate Н3ВО3. It was found, that single-phase rutile titanium dioxide or two-phase anatase-rutile oxide materials were formed under the different initial ratios of components. Boron atoms are combined with Oxygen atoms into triangular structural cell ВО3 in the rutile sample 0.5В-ТіО2 and are localized in the surface layer of the nanoparticle material as a grouping =О2ВОН. The introduction of Boron atoms into the structure of the rutile adsorbent causes an increase in its adsorption capacity for the binding of Sr(II) cations in the aqueous electrolyte. The maximal adsorption values for Sr(II) cations by the rutile adsorbent in a neutral electrolyte environment reach 102.3 mg‧g-1, while it is equal to 68.8 mg‧g-1 for the unmodified anatase adsorbent a-TiO2. The number of acid adsorption centers ≡ТіОНδ+ on the surface of the rutile adsorbent 0.5В-ТіО2 is ~ 50 units on a surface area of 10 nm2, which is twice the number of centers on the surface of the anatase adsorbent a- ТіО2. Anatase-rutile adsorbents 1.0В-ТіО2 and 1.5В-ТіО2 contain, respectively, 70% and 57% of the anatase phase. They are significantly inferior in adsorption ability toward cations of Sr(II) compared with the rutile adsorbent 0.5В-ТіО2. This is because Boron atoms are mainly localized in the anatase phase and with oxygen atoms form tetrahedral groups of ВО4-. 
研究了硼掺杂TiO2对Sr(II)阳离子的吸附。以水络合前驱体[Ті(ОН2)6]3+·3Cl-和改性剂硼酸氢Н3ВО3为原料,采用液相溶胶-凝胶法制备吸附剂样品。结果表明,在不同组分的初始配比下,可形成单相金红石型二氧化钛或两相锐钛-氧化金红石型材料。在金红石样品0.5В-ТіО2中,硼原子与氧原子结合形成三角形结构细胞ВО3,并以分组形式定位在纳米颗粒材料的表层=О2ВОН。在金红石吸附剂的结构中引入硼原子,使其对水电解质中Sr(II)阳离子结合的吸附能力增加。在中性电解质环境下,金红石吸附剂对Sr(II)阳离子的最大吸附值为102.3 mg·g-1,而未经改性的锐钛矿吸附剂a- tio2的最大吸附值为68.8 mg·g-1。金红石吸附剂0.5В-ТіО2表面的酸吸附中心数≡ТіОНδ+在10 nm2的表面积上为~ 50个单位,是锐钛矿吸附剂a- ТіО2表面的酸吸附中心数的两倍。锐钛矿-金红石吸附剂1.0В-ТіО2和1.5В-ТіО2分别含有70%和57%的锐钛矿相。与金红石吸附剂0.5В-ТіО2相比,它们对Sr(II)阳离子的吸附能力明显较差。这是因为硼原子主要集中在锐钛矿相,并与氧原子形成ВО4-的四面体基团。
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引用次数: 1
Magnetic properties and nanocrystallization behavior of Co-based amorphous alloy 钴基非晶合金的磁性能及纳米晶化行为
IF 0.7 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-03-12 DOI: 10.15330/pcss.24.1.106-113
Y. Nykyruy, S. Mudry, Y. Kulyk, V. Prunitsa, A. Borysiuk
The magnetic properties of the amorphous Co57Fe5Ni10Si11B17 alloy have been studied by a vibrating sample magnetometer. The temperature dependence of saturation magnetization was measured and the Curie point and crystallization onset temperature were determined as 560 K and 760 K respectively. The coercive force was obtained as 200 A/m and saturation magnetization - 65 Am2 /kg. The alloy was produced in the form of a ribbon thickness of 30 µm using the melt spinning method, and its internal amorphous structure was examined by the X-ray diffraction method. The crystallization behavior of the alloy was studied using series of isothermal annealing of the samples of the alloy at temperatures in the range of 723-1023 K for different exposures (up to 240 minutes) and nanocrystalline phases were detected by the X-ray diffraction analysis.
用振动样品磁强计研究了非晶Co57Fe5Ni10Si11B17合金的磁性能。测量了饱和磁化的温度依赖性,确定了居里点为560 K,结晶起始温度为760 K。矫顽力为200 A/m,饱和磁化强度为65 Am2 /kg。采用熔体纺丝法制备了厚度为30µm的带状合金,并用x射线衍射法对其内部非晶结构进行了表征。在723 ~ 1023 K的温度范围内对合金样品进行了一系列等温退火(曝光时间长达240分钟),研究了合金的结晶行为,并通过x射线衍射分析检测了纳米晶相。
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引用次数: 2
Influence of metal atom substitution on the electronic and optical properties of solid-state Cd0.75X0.25Te (X= Cu, Ag and Au) solutions 金属原子取代对固态Cd0.75X0.25Te (X= Cu, Ag和Au)溶液电子学和光学性质的影响
IF 0.7 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-03-11 DOI: 10.15330/pcss.24.1.92-101
A. Kashuba
The solid-state Cd0.75X0.25Te (X= Cu, Ag, and Au) solutions crystallize in the cubic structure and are studied in the framework of density functional theory. The theoretical first-principle calculations of the electronic band structure, density of states, and refractive index of solid-state Cd0.75X0.25Te (X= Cu, Ag, and Au) solutions are estimated by the generalized gradient approximation (GGA). A Perdew–Burke–Ernzerhof functional (PBE) was utilized. Formation energy is calculated based on the results of the total energy of the study samples. The effective mass of the electrons and holes was calculated based on the electronic band structure. The influence of atom substitution on electron conductivity and mobility is discussed. To study the optical properties was use a complex dielectric function ε(ħω). The spectral behaviour of the refractive index was calculated based on the dielectric function.
在密度泛函理论的框架下,研究了固态Cd0.75X0.25Te (X= Cu, Ag和Au)溶液在立方结构中的结晶。利用广义梯度近似(GGA)对固态Cd0.75X0.25Te (X= Cu, Ag和Au)溶液的能带结构、态密度和折射率进行了理论第一性原理计算。采用Perdew-Burke-Ernzerhof函数(PBE)。根据研究样品总能量的结果计算地层能量。根据电子能带结构计算了电子和空穴的有效质量。讨论了原子取代对电子电导率和迁移率的影响。利用复介电函数ε(ħω)研究其光学性质。根据介电函数计算了折射率的光谱特性。
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引用次数: 0
Peculiarities of structural, electrokinetic, energetic, and magnetic properties semiconductive solid solution Lu1-xVxNiSb 半导体固溶体Lu1-xVxNiSb的结构、电动力学、能量和磁性的特性
IF 0.7 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-03-10 DOI: 10.15330/pcss.24.1.84-91
Y. Stadnyk, V. Romaka, L. Romaka, P. Demchenko, A. Horyn, O. Poplavskyi, V. Pashkevych, P. Haraniuk
The structural, electrokinetic, energetic, and magnetic properties of the new semiconductive solid solution Lu1-xVxNiSb, х=0–0.10, were studied. It was shown that V atoms could simultaneously occupy different crystallographic positions in different ratios, generating structural defects of acceptor and donor nature. This creates corresponding acceptor and donor bands in the bandgap εg of Lu1-xVxNiSb. The mechanism of the formation of two acceptor bands with different depths of occurrence has been established: a small acceptor band εА2, formed by defects due to the substitution of Ni atoms by V ones in the 4c position, and band εА1, generated by vacancies in the LuNiSb structure. The ratio of the concentrations of generated defects determines the position of the Fermi level εF and the conduction mechanisms. The investigated solid solution Lu1-xVxNiSb is a promising thermoelectric material.
研究了新型半导体固溶体Lu1-xVxNiSb的结构、电动力学、能量和磁性能。结果表明,V原子可以同时以不同的比例占据不同的晶体位置,从而产生受体和给体性质的结构缺陷。这在Lu1-xVxNiSb的带隙εg中产生相应的受体带和供体带。建立了两个存在深度不同的受体带的形成机制:一个是由Ni原子在4c位置被V原子取代而形成的小受体带εА2,另一个是由LuNiSb结构中的空位产生的εА1。产生缺陷的浓度比决定了费米能级εF的位置和传导机制。所研究的固溶体Lu1-xVxNiSb是一种很有前途的热电材料。
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引用次数: 0
Periodic nanostructures induced by point defects in Pb1-xSnxTe Pb1-xSnxTe点缺陷诱导的周期性纳米结构
IF 0.7 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-03-10 DOI: 10.15330/pcss.24.1.70-76
Y. Saliy, L. Nykyruy, G. Cempura, O. Soroka, T. Parashchuk, I. Horichok
Lead tin telluride solid solutions are excellent candidates for the p-type conduction legs of the thermoelectric generator modules. The investigation of their microstructure properties is an important issue, that can effectively modify their electronic and thermal transport properties. In this work, we show the experimental dependences of the Pb1-xSnxTe component distribution, which were identified as periodic nanostructures with an amplitude of λ ≈ 50-500 nm. The observed periodicity is explained by the generation and recombination of point defects due to diffusion processes during the synthesis, sintering, and annealing of samples. A model describing the formation of such inhomogeneities in Pb1-xSnxTe ternary alloys during isothermal annealing is proposed.
碲化铅锡固溶体是热电发电模块p型导腿的理想材料。研究它们的微观结构性能是一个重要的问题,它可以有效地改变它们的电子和热输运性能。在这项工作中,我们展示了Pb1-xSnxTe组分分布的实验依赖性,它们被确定为振幅为λ≈50-500 nm的周期性纳米结构。观察到的周期性可以解释为在样品的合成、烧结和退火过程中由于扩散过程而产生和重新组合的点缺陷。提出了一种描述Pb1-xSnxTe三元合金在等温退火过程中不均匀性形成的模型。
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引用次数: 1
The Effect of synthesis methods and comparative study of structural properties of micro and nano Ferrites 合成方法对微、纳米铁氧体结构性能的影响及对比研究
IF 0.7 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-03-10 DOI: 10.15330/pcss.24.1.77-83
S. Mathad, A. Pathan, A. M. Shaikh, S. Sushant
In this study, Mn(x)Zn(1-x)Fe2O4 ferrite samples with x=0.4 and 0.6 were synthesized using a solid-state  method and co-precipitation method. In order to determine the effects of various concentrations (x) on the ferrite's structure, particle size, and crystalline phases, prepared samples were analysed using X-ray diffraction (XRD). The XRD patterns revealed that the synthesized samples display a single-phase cubic spinel structure.FTIR analysis showed for both synthesis method have absorption band in the range 400 to 1000 cm-1.SEM analysis shows extreme homogeneity of all the samples. EDX analysis was used to examine for Mn0.4Zn0.6Fe204,The prepared ferrites powders contain Mn, Zn, and Fe, as shown in both synthesis methods.In this approach, alternative synthesis routes for these ferrites are suggested in this study in order to get around some limitations of the traditional preparation method.
本研究采用固相法和共沉淀法合成了x=0.4和0.6的Mn(x)Zn(1-x)Fe2O4铁氧体样品。为了确定不同浓度(x)对铁素体结构、粒度和晶相的影响,用x射线衍射(XRD)分析了制备的样品。XRD分析表明,合成的样品呈单相立方尖晶石结构。FTIR分析表明,两种合成方法的吸收带均在400 ~ 1000 cm-1范围内。扫描电镜分析表明,所有样品的极端均匀性。用EDX分析Mn0.4Zn0.6Fe204,制备的铁氧体粉末中含有锰、锌和铁,两种合成方法均有结果。在这种方法中,本研究提出了这些铁氧体的替代合成路线,以克服传统制备方法的一些局限性。
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引用次数: 1
期刊
Physics and Chemistry of Solid State
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