Journal of Crystal Growth最新文献

{"title":"Single crystal growth of 1T-VSe2 by molten salt flux method","authors":"Muhammed Anees K.T.,&nbsp;Souvik Kumar Rana,&nbsp;Abinash Das,&nbsp;Moumita Nandi","doi":"10.1016/j.jcrysgro.2025.128135","DOIUrl":"10.1016/j.jcrysgro.2025.128135","url":null,"abstract":"<div><div>VSe<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> is a highly promising van der Waals (vdW) material for applications in electronics, spintronics, and optoelectronics. Here, we report single crystal growth of 1T-VSe<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> (octahedral structure) by flux method using eutectic of NaCl/KCl molten salt. The typical size of as-grown VSe<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> single crystals is 5 × 4 × 0.1 mm<span><math><msup><mrow></mrow><mrow><mn>3</mn></mrow></msup></math></span>. The elemental composition and homogeneity of the crystals were examined by energy dispersive x-ray spectroscopy, which is consistent with the stoichiometric ratio of VSe<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>. The crystallographic [001] direction has been determined by x-ray diffraction. Raman measurement confirms that the octahedral 1T structure of VSe<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> has been formed. Temperature-dependent resistivity measurement exhibits a transition around 104 K due to the formation of the charge density wave phase.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"659 ","pages":"Article 128135"},"PeriodicalIF":1.7,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143590358","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Modification mechanisms of the primary Al13Fe4 phase in hypereutectic Al–Fe alloys by La element: Experiments and first–principles study","authors":"Na Pang,&nbsp;Zhiming Shi,&nbsp;Cunquan Wang,&nbsp;Hao Lian,&nbsp;Jiacheng Liu","doi":"10.1016/j.jcrysgro.2025.128136","DOIUrl":"10.1016/j.jcrysgro.2025.128136","url":null,"abstract":"<div><div>The primary Al₁₃Fe₄ phase prefers to grow along the [010] orientation and form flakes, coarse needles, and lath shapes, which significantly impairs the mechanical properties of hypereutectic Al–Fe alloys. In this work, 1 wt% La addition is shown to greatly improve the morphology of the primary Al₁₃Fe₄ phase and have the most efficient refinement effect on Al–5Fe alloy. According to the data, La atoms mainly formed Al₁₁La₃ phase and were not found in the primary Al₁₃Fe₄ phase. The DSC thermal analysis revealed that La addition increased the crystallization temperature range and decreased the crystallization enthalpy of the primary Al₁₃Fe₄ phase. The results of the first-principles calculation indicated that La preferentially occupied Al sites when entering the primary Al₁₃Fe₄ phase, thus leading to an increase in the formation enthalpy of Al₁₃Fe₄. Meanwhile, the surface energy decreased and the stability of the (010) surface was enhanced when La atoms replaced the specific Al atoms sites in the Al₁₃Fe₄ (010) surface. Moreover, La atoms were rather adsorbed on the Al₁₃Fe₄ (010) surface because of the exothermic nature of adsorption and its negative energy. Therefore, La atoms change the formation enthalpy and surface energy of the Al₁₃Fe₄ phase by doping and adsorption, and finally affect the crystal structure, crystallization process and morphology of the primary Al₁₃Fe₄ phase. The experimental results and theoretical calculations confirm that adsorption and constitutional undercooling are more likely to be the main modification mechanisms of the primary Al₁₃Fe₄ phase via La doping.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"659 ","pages":"Article 128136"},"PeriodicalIF":1.7,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143577079","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Temperature-dependent crystallization of TiO2: A pathway to optimize efficiency in perovskite solar cells","authors":"Gani Purwiandono ,&nbsp;Puji Lestari ,&nbsp;Fina Binazir Maziya ,&nbsp;Dara Rossa Alcintaka ,&nbsp;Rizky Fajrie Novriansyah","doi":"10.1016/j.jcrysgro.2025.128133","DOIUrl":"10.1016/j.jcrysgro.2025.128133","url":null,"abstract":"<div><div>This study investigates the fabrication of titanium dioxide (TiO₂) crystals and their use as electron transport layers (ETLs) in perovskite solar cells (PSC). We investigated the structural, morphological, and electrical properties of TiO₂ films by altering synthesis temperatures (60 °C, 70 °C, and 80 °C) and reaction periods. TiO₂ produced at 70 °C has the largest crystallite size and surface area, resulting in better film quality, according to the characterization of XRD, SEM, and TEM. The maximum conversion efficiency of 16.1 % is achieved by 70 °C TiO₂ films due to the improved charge extraction and lower recombination. These results show that optimizing the TiO₂ ETL and precisely controlling synthesis conditions improves PSC performance.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"659 ","pages":"Article 128133"},"PeriodicalIF":1.7,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143548982","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Sodium lauryl sulphate-mediated manganese doping to enhance photocatalytic performance of cadmium sulphide-manganese composite","authors":"Santhoshbalaji Muthuvijayan ,&nbsp;T. Theivasanthi ,&nbsp;Rajesh Kumar Manavalan ,&nbsp;Selvakumar Balasubramanian ,&nbsp;Subash C.B. Gopinath","doi":"10.1016/j.jcrysgro.2025.128125","DOIUrl":"10.1016/j.jcrysgro.2025.128125","url":null,"abstract":"<div><div>This research investigates the effect of manganese doping concentration in cadmium sulphide (CdS) nanoparticles synthesized using sodium lauryl sulfate (SLS) surfactant to improve photocatalytic activity. We systematically controlled the manganese precursor concentration at 0.004 g, 0.0099 g, 0.0148 g, 0.0198 g, and 0.0247 g to achieve optimal doping efficiency and modulate the structural transformation of CdS-Mn nanocomposites. It was observed that the bandgap energy varied between 2.16 eV and 2.27 eV. Forward scattering of the X-rays was measured for the crystal at an incident photon energy of 2.27 eV, depending on Mn concentration, using UV–Vis absorption spectra. XRD analysis of CdS confirmed its wurtzite form with a peak shift at 2θ ≈ 32°, attributed to lattice contraction upon Mn doping. Transmission electron microscopy analysis provided a particle size estimate of about 7–8 nm. The reduction of methylene blue through photocatalytic activity under UV light showed that the highest degradation efficiency was achieved with Mn doping at 0.0148 g. The presence of SLS improved nanoparticle dispersion, preventing particle agglomeration and requiring stabilization, which is essential for high photocatalytic activity. The findings of this study are valuable for understanding the interaction process between Mn-doped CdS nanoparticles and SLS, as well as the synergistic effects that effectively enhance photocatalytic performance.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"658 ","pages":"Article 128125"},"PeriodicalIF":1.7,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143518975","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"3D numerical investigation of the factors affecting the thermal stresses and the wavy external shape of Li2MoO4 crystals grown by the Czochralski method","authors":"C. Stelian,&nbsp;M. Velazquez","doi":"10.1016/j.jcrysgro.2025.128134","DOIUrl":"10.1016/j.jcrysgro.2025.128134","url":null,"abstract":"<div><div>Three-dimensional (3D) modeling was applied to investigate heat transfer, convection and thermal stresses in Czochralski growth of Li₂MoO₄ (LMO) crystals used to build the core of heat-scintillation cryogenic bolometers (HSCBs). Several crystals of <span><math><mrow><mn>4</mn><mspace></mspace><mi>c</mi><mi>m</mi></mrow></math></span> and <span><math><mrow><mn>5</mn><mspace></mspace><mi>c</mi><mi>m</mi></mrow></math></span> in diameter were grown in two different Czochralski configurations. The largest ingot (<span><math><mrow><mn>4</mn><mspace></mspace><mi>c</mi><mi>m</mi></mrow></math></span>-diameter and <span><math><mrow><mn>6</mn><mspace></mspace><mi>c</mi><mi>m</mi></mrow></math></span>-length) grown in a furnace based on coupling the inductive coil and a platinum crucible, has cracked as the bottom part of the crystal was cut. Another crystal (<span><math><mrow><mn>5</mn><mspace></mspace><mi>c</mi><mi>m</mi></mrow></math></span>-diameter and <span><math><mrow><mn>15</mn><mspace></mspace><mi>c</mi><mi>m</mi></mrow></math></span>-length) was grown in a furnace based on inductive heating of a susceptor, which was previously optimized by numerical modeling in order to reduce the thermal stresses in LMO crystals. The external surface of this ingot shows a slightly wavy shape. This irregular shape was investigated by considering 3D convective effects at the free surface of the melt, which can affect the liquid meniscus shape, and generate slight instabilities of the growth process. It is concluded that this wavy shape can be avoided by changing the sensitivity of the automatic crystal shape control. The thermal stress computations, conducted for the ingot of <span><math><mrow><mn>4</mn><mspace></mspace><mi>c</mi><mi>m</mi></mrow></math></span> in diameter, show that the normal stress in the longitudinal section has a maximum which highly exceeds the critical value of the tensile stress in a region located at the bottom part of the ingot. That explains the fracture observed during the cutting of the ingot’s tail. The computations performed in the case of <span><math><mrow><mn>5</mn><mspace></mspace><mi>c</mi><mi>m</mi></mrow></math></span>-diameter ingot, grown in an optimized configuration, show that the crystal exhibits low thermal stress, except for a thin region of <span><math><mrow><mn>2</mn><mspace></mspace><mi>m</mi><mi>m</mi></mrow></math></span> located at the ingot periphery, where the stress slightly exceeds the critical value. Thermal stresses can be reduced by a factor of 2 by growing the ingots parallel to the c-axis.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"658 ","pages":"Article 128134"},"PeriodicalIF":1.7,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143520225","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structural, morphological, and improved dielectric properties of PbZr0.52Ti0.48O3 nanoparticles/polycarbonate composites synthesized by using sol–gel method","authors":"Hitesh D. Sonawane ,&nbsp;S.D. Dhole ,&nbsp;S.S. Dahiwale ,&nbsp;Sajid Naeem ,&nbsp;Sushma.C. Kulkarni ,&nbsp;A.V. Patil ,&nbsp;M.Shaheer Akhtar ,&nbsp;Sadia Ameen","doi":"10.1016/j.jcrysgro.2025.128124","DOIUrl":"10.1016/j.jcrysgro.2025.128124","url":null,"abstract":"<div><div>In this work, the PbZr_0.52Ti_0.48O₃ (PZT) nanocrystalline particles were effectively produced using the sol–gel method and then integrated into polycarbonate (PC) to create composites with various PZT concentrations. The produced PZT particles, PC, and PC/PZT composites were evaluated using X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), ultraviolet–visible spectroscopy (UV–Vis), and scanning electron microscopy (SEM) techniques. XRD and FTIR investigations verified the development of perovskite PZT nanoparticles free of the pyrochlore phase at 700 °C, with a tetragonal structure and an average crystallite size of PZT nanoparticle<!--> <!-->is about 56 nm. The XRD pattern revealed its amorphous structure, while the FTIR spectra indicated the presence of C<img>H, C<img>O, C<img>C, and C<img>O bonds. FTIR spectra showed metal-oxide bonds between 400–800 cm⁻¹, while UV–Vis examination revealed a band gap energy of 2.7 eV. SEM images revealed aggregation among spherical PZT particles. SEM images revealed strong adherence and aggregation of PZT particles within the polymer matrix. The dielectric characteristics of the PC/PZT composites improved with increasing PZT concentrations. The improved interfacial mechanism in ceramic-polymer composites can be used to obtain high dielectric constants.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"658 ","pages":"Article 128124"},"PeriodicalIF":1.7,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143528988","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A highly sensitive and selective detection of ascorbic acid and uric acid based on nitrogen-doped graphitic carbon nanotube networks in situ grown on 316L stainless steel","authors":"Rui Lei ,&nbsp;Wei Liu ,&nbsp;Na Liu ,&nbsp;Lanlan Ye ,&nbsp;Junfu Zhang ,&nbsp;Haiyang Li ,&nbsp;Zihao Wang ,&nbsp;Wenlei Hu ,&nbsp;Mengyang Lv ,&nbsp;Zaijiao Fei","doi":"10.1016/j.jcrysgro.2025.128110","DOIUrl":"10.1016/j.jcrysgro.2025.128110","url":null,"abstract":"<div><div>A new electrochemical sensor concerning nitrogen-doped graphitic carbon nanotube networks (N-GCNNs) is constructed for a coexistent probe of ascorbic acid (AA) and uric acid (UA). The N-GCNNs are in situ grown on stainless steel (SS) substrate through chemical vapor deposition, heat treatment and hydrothermal method. These N-GCNNs are utilized as working electrodes to determine AA and UA electrochemically. From cyclic voltammetry and differential pulse voltammetry studies, the N-GCNNs can identify AA with wide rectilineal detection ranges from 100 to 3000 μM with a detection limit of 1 μM and determine UA from 10 to 150 μM with a detection limit of 0.5 μM. Furthermore, these N-GCNNs exhibit exceptional selectivity, reproducibility and stability owing to a great number of exposed edge plane sites and the increase of the heterogeneous electron transform rate.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"658 ","pages":"Article 128110"},"PeriodicalIF":1.7,"publicationDate":"2025-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143509166","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Top-Seeded solution growth of lead zirconate titanate single crystals from a high temperature solution","authors":"Vincent Fratello,&nbsp;Song Won Ko","doi":"10.1016/j.jcrysgro.2025.128109","DOIUrl":"10.1016/j.jcrysgro.2025.128109","url":null,"abstract":"<div><div>Lead zirconate titanate (PZT—Pb(Zr_XTi_1−X)O₃) single crystals were grown by the top-seeded solution growth (TSSG) method. Three solvent systems PbO-PbLiPO₄, PbO-Pb₂P₂O₇, and PbO-B₂O₃ were chosen for their low vapor pressures, but they also had high viscosity and molecular clusters that formed in the melt. To obtain crystals near the morphotropic phase boundary with <em>X</em> ≈<!--> <!-->0.52, melt compositions were formulated based on earlier phase diagram work with a low ratio of [ZrO₂]/([TiO₂] + [ZrO₂]) ∼0.1 in the melt. Liquid-phase epitaxy or top-seeded solution growth with various substrates was not effective because of the excessive lattice mismatch. Bootstrapping from seeding on a platinum wire to a PZT seed was necessary to grow large crystals.</div><div>To maintain a constant crystal composition, steady-state isothermal liquid-phase transport in a two-phase system was developed. This method relies on the phase diagram thermodynamic equilibrium between liquid and solid phases. The melt was equilibrated at the growth temperature with an excess of nutrients in the proper proportions to result in crystallites of the target composition precipitating on the bottom. In a negative vertical temperature gradient, this nutrient material dissolved and was transported to the cooler seed crystal at the top of the melt. This occurs at a constant average temperature to achieve a constant composition the same as the nutrient on the bottom.</div><div>The initial growth morphology of the crystals was a stepped surface, showing columnar growth of large macro-steps growing together trapping melt inclusions. This was improved through solvent choice, liquid-phase transport, and lower growth rates.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"657 ","pages":"Article 128109"},"PeriodicalIF":1.7,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143474019","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Numerical investigation on the effect of growth conditions on silicon carbide growth in chemical vapor deposition","authors":"Guangyu Zheng ,&nbsp;Yukang Sun ,&nbsp;Simin Liu ,&nbsp;Peng Su ,&nbsp;Junhong Pei ,&nbsp;Ran Zuo ,&nbsp;Lijun Liu","doi":"10.1016/j.jcrysgro.2025.128108","DOIUrl":"10.1016/j.jcrysgro.2025.128108","url":null,"abstract":"<div><div>The growth of silicon carbide (SiC) by chemical vapor deposition (CVD) is influenced by process parameters, and the growth rate and the uniformity of film can be improved by optimizing the parameters. In this paper, we propose a method for optimizing SiC-CVD process parameters based on the combined theory of Computational Fluid Dynamics (CFD) and Design of Experiment (DOE). Herein, the flow stability in the Buffered Distributed Spray (BDS) reactor was studied over a wide range of process conditions to determine the flow states and characteristics, thereby identifying the suitable process parameter range for SiC-CVD. Through simulation validation, a deposition rate of up to 24.8 μm/h with film uniformity below 5 % was achieved. This study provides both an effective solution for high-quality epitaxial growth and a theoretical basis for subsequent experiments.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"657 ","pages":"Article 128108"},"PeriodicalIF":1.7,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143464464","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"MBE growth and properties of GaInAsSb alloys deep inside the miscibility gap","authors":"T. Sabardeil ,&nbsp;G. Gregoire ,&nbsp;J.-L. Reverchon ,&nbsp;V. Trinite ,&nbsp;E. Tournié ,&nbsp;J.-B. Rodriguez ,&nbsp;A. Evirgen","doi":"10.1016/j.jcrysgro.2025.128107","DOIUrl":"10.1016/j.jcrysgro.2025.128107","url":null,"abstract":"<div><div>We present a detailed study of the crystalline, morphological, electrical and optical properties of GaInAsSb quaternary alloys grown by Molecular Beam Epitaxy (MBE) on GaSb substrate. The objective of this study is, on the one hand, to use the far-from- thermodynamic equilibrium specificity of MBE to grow compositions deep inside the miscibility gap, and to identify the range of compositions accessible for high-performance infrared devices. On the other hand, it enriches the knowledge on the InAs-rich GaInAsSb quaternary alloy that has been little studied until now.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"657 ","pages":"Article 128107"},"PeriodicalIF":1.7,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143454893","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}