Crystal Research and Technology最新文献

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Effective High Emitting CsPbBr3 LARP Colloidal Perovskites Obtained Through Different Conditions 不同条件下制备的高效高发射CsPbBr3 LARP胶体钙钛矿
IF 1.9 4区 材料科学
Crystal Research and Technology Pub Date : 2026-08-09 DOI: 10.1002/crat.70147
Fernando Edsel Guerra-Vega, José Alberto Alvarado, Héctor Juárez Santiesteban
{"title":"Effective High Emitting CsPbBr3 LARP Colloidal Perovskites Obtained Through Different Conditions","authors":"Fernando Edsel Guerra-Vega,&nbsp;José Alberto Alvarado,&nbsp;Héctor Juárez Santiesteban","doi":"10.1002/crat.70147","DOIUrl":"https://doi.org/10.1002/crat.70147","url":null,"abstract":"<div>\u0000 \u0000 <p>In this research, three synthesis conditions of green-emitting colloidal CsPbBr<sub>3</sub> nanocrystals obtained by LARP are discussed. Room temperature (A-RT), low temperature air atmosphere (A-LT), and a stationary-state nitrogen flow injection at room temperature (N-RT), are described. The samples were analyzed through XRD, SEM, UV–Vis, PL, and FT-IR. A crystalline cubic phase and by products mixture were identified; an average size of 15.5 to 11 nm was calculated, being the smallest one obtained at low temperature. From SEM, it is observed that morphology is affected by the ambient conditions (i.e., A-RT and N-RT samples); the particle size decreases, showing rod-like-shaped nanoparticles. Additionally, by the UV–Vis spectra, three contributions are localized, at 510, 519, and 522 nm; this could be associated with the cubic phase/byproducts. In correlation to PL, it was possible to identify the main emission peak of each sample, which was located at 511, 519, and 522 nm for A-LT, N-RT, and A-RT, respectively, noticing a redshift probably due to the size dependence. The TRPL and PLQY are measured to analyze which mechanisms are responsible for each sample emission. Finally, to identify the presence of any organic byproduct compound, the FT-IR characterization was done.</p>\u0000 </div>","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"61 8","pages":""},"PeriodicalIF":1.9,"publicationDate":"2026-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148753124","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}
引用次数: 0
Lamellar-Type Crystals of an Amphiphilic Anilinium Chloride Adsorbing and Desorbing Water Vapor Under Mild Conditions 两亲性氯化苯胺片状晶体在温和条件下对水蒸气的吸附和解吸
IF 1.9 4区 材料科学
Crystal Research and Technology Pub Date : 2026-08-09 DOI: 10.1002/crat.70142
Shohei Tashiro, Ai Inoue
{"title":"Lamellar-Type Crystals of an Amphiphilic Anilinium Chloride Adsorbing and Desorbing Water Vapor Under Mild Conditions","authors":"Shohei Tashiro,&nbsp;Ai Inoue","doi":"10.1002/crat.70142","DOIUrl":"https://doi.org/10.1002/crat.70142","url":null,"abstract":"<p>Organic ammonium halides, which are obtained by neutralizing organic amines with hydrogen halides, exhibit several properties and functions based on their diverse hydrogen bond networks. Here we report 2-(2-hydroxyethyl)anilinium chloride as a novel organic ammonium halide and describe its reversible hydration/dehydration behavior under mild conditions. Single-crystal X-ray diffraction analysis shows that this halide crystalizes into two different lamellar-type crystals, anhydrate and monohydrate, composed of hydrophobic phenyl and hydrophilic hydrogen bonded layers. Powder X-ray diffraction, thermogravimetric, and gas adsorption analyses indicate that the anhydrate crystals adsorb water vapor by incorporating water molecules into their hydrophilic layers under atmospheric humidity, and the monohydrate crystals readily desorb water by mild heating at approximately 50°C for several minutes. Notably, these hydration and dehydration processes are reversible with crystal-to-crystal transformation. Therefore, 2-(2-hydroxyethyl)anilinium chloride can be utilized as an excellent water vapor adsorber, opening up the potential for organic ammonium halides, particularly anilinium halide frameworks, as a functional crystalline material.</p>","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"61 8","pages":""},"PeriodicalIF":1.9,"publicationDate":"2026-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/crat.70142","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148753123","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}
引用次数: 0
Precursor Molarity Effect on the Ammonia Gas Sensing of Transparent Conductive Tin Oxide Thin Films at Room Temperature 前驱体摩尔浓度对室温下透明导电氧化锡薄膜氨气感的影响
IF 1.9 4区 材料科学
Crystal Research and Technology Pub Date : 2026-08-07 DOI: 10.1002/crat.70140
Shruti Bakshi, Neha Sharma, Suman Rani, Kamlash Rani, Divya N. Shetty, Rajesh Kumar
{"title":"Precursor Molarity Effect on the Ammonia Gas Sensing of Transparent Conductive Tin Oxide Thin Films at Room Temperature","authors":"Shruti Bakshi,&nbsp;Neha Sharma,&nbsp;Suman Rani,&nbsp;Kamlash Rani,&nbsp;Divya N. Shetty,&nbsp;Rajesh Kumar","doi":"10.1002/crat.70140","DOIUrl":"https://doi.org/10.1002/crat.70140","url":null,"abstract":"<div>\u0000 \u0000 <p>SnO<sub>2</sub>-based gas sensors are widely studied for hazardous gas detection due to their high sensitivity and stability; however, their practical application is often restricted by high operating temperatures. In this work, SnO<sub>2</sub> thin films with different precursor molarities (0.05, 0.1, 0.25, and 0.5 <span>m</span>) were prepared using the sol–gel spin coating technique and annealed at 500°C for 1 h in ambient air to investigate their room-temperature NH<sub>3</sub> sensing performance. XRD analysis confirmed the formation of polycrystalline tetragonal rutile SnO<sub>2</sub> thin films, while FE-SEM studies revealed denser morphology and increased thickness with increasing molarity. Gas sensing measurements performed at NH<sub>3</sub> concentrations of 100–500 ppm demonstrated that the 0.5 <span>m</span> SnO<sub>2</sub> thin film exhibited the highest sensing response of 49.2 at 500 ppm, along with rapid response and recovery behavior at room temperature (30°C). The enhanced sensing performance is attributed to increased surface activity and adsorption sites in the high-molarity films. The results demonstrate that precursor concentration strongly influences the structure–property relationship and sensing behavior of SnO<sub>2</sub> thin films, highlighting their potential for low-cost and energy-efficient room-temperature ammonia sensing applications.</p>\u0000 </div>","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"61 8","pages":""},"PeriodicalIF":1.9,"publicationDate":"2026-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148752999","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}
引用次数: 0
Temperature Variation, Complex Formation, and Creation of Supersaturation During Reaction Crystallization of Lithium Carbonate in Aqueous Lithium Chloride Solution by Feeding Sodium Carbonate Solution at Constant Rate 等速加料碳酸钠在氯化锂水溶液中反应结晶过程中的温度变化、络合物的形成和过饱和的产生
IF 1.9 4区 材料科学
Crystal Research and Technology Pub Date : 2026-08-07 DOI: 10.1002/crat.70141
Keshra Sangwal, Ewa Mielniczek-Brzóska
{"title":"Temperature Variation, Complex Formation, and Creation of Supersaturation During Reaction Crystallization of Lithium Carbonate in Aqueous Lithium Chloride Solution by Feeding Sodium Carbonate Solution at Constant Rate","authors":"Keshra Sangwal,&nbsp;Ewa Mielniczek-Brzóska","doi":"10.1002/crat.70141","DOIUrl":"https://doi.org/10.1002/crat.70141","url":null,"abstract":"<div>\u0000 \u0000 <p>Experimental results of the variation of temperature <i>T</i><sub>s</sub> of water and aqueous LiCl solution with the feeding Na<sub>2</sub>CO<sub>3</sub> solution at a constant rate <i>R</i><sub>B</sub> during the reaction crystallization of Li<sub>2</sub>CO<sub>3</sub> are presented and discussed from the standpoint of the creation of supersaturation in the solution. The origin of the variation of temperature of water and LiCl solution with the feeding of Na<sub>2</sub>CO<sub>3</sub> solution from consideration of chemical reactions, the relationship of temperature <i>T</i><sub>s</sub> and pH of water and LiCl solution with the feeding of Na<sub>2</sub>CO<sub>3</sub> solution, and the nature of complexes existing in the solution and their role in the creation of supersaturation are analyzed and discussed. Analysis of variation of temperature <i>T</i><sub>s</sub> and pH of LiCl solution with the feeding duration <i>t</i> of Na<sub>2</sub>CO<sub>3</sub> solution shows that the minimum temperature <i>T</i><sub>min</sub> is associated with the creation of solubility of Li<sub>2</sub>CO<sub>3</sub> in the solution due to the formation of HCO<sub>3</sub><sup>−</sup> ions by the hydrolysis of CO<sub>3</sub><sup>2−</sup> ions required for the formation of neutral solvated Li<sub>2</sub>CO<sub>3</sub><sup>0</sup> associates, followed by subsequent insignificant increase in <i>T</i><sub>s</sub> due to the formation of practically constant concentration of neutral solvated Li<sub>2</sub>CO<sub>3</sub><sup>0</sup> associates, independent of the concentration <i>c</i><sub>B</sub> of Na<sub>2</sub>CO<sub>3</sub> solution, for the onset of three-dimensional (3D) nucleation.</p>\u0000 </div>","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"61 8","pages":""},"PeriodicalIF":1.9,"publicationDate":"2026-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148753111","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}
引用次数: 0
Kinetic Studies, Nucleation, and Crystallization Behavior of Calcium Oxalate in the Presence of Natural Phytochemicals 草酸钙在天然植物化学物质作用下的动力学研究、成核和结晶行为
IF 1.9 4区 材料科学
Crystal Research and Technology Pub Date : 2026-08-06 DOI: 10.1002/crat.70144
Nancy Bhura, Jeena Gupta, Hamdy Maamoun Abdel-Ghafar
{"title":"Kinetic Studies, Nucleation, and Crystallization Behavior of Calcium Oxalate in the Presence of Natural Phytochemicals","authors":"Nancy Bhura,&nbsp;Jeena Gupta,&nbsp;Hamdy Maamoun Abdel-Ghafar","doi":"10.1002/crat.70144","DOIUrl":"https://doi.org/10.1002/crat.70144","url":null,"abstract":"<div>\u0000 \u0000 <p>Kidney stone disease (nephrolithiasis) is a recurrent urological disorder in which calcium oxalate (CaOx) is the predominant crystalline component. This study investigated the effects of anethole, isoeugenol, silibinin, and potassium citrate on CaOx crystallization kinetics under varying supersaturation conditions. Induction time analysis demonstrated that all tested compounds delayed crystal nucleation at lower supersaturation ratios, with potassium citrate increasing induction time from ∼460 s in the control to ∼650 s at SRs 0.72. Surface energy and nucleation rate analyses further revealed supersaturation-dependent modulation of crystallization kinetics, particularly in the presence of silibinin. FESEM analysis showed reduced crystal aggregation and altered crystal morphology in treated groups, while XRD and FTIR confirmed calcium oxalate monohydrate (COM) as the predominant crystalline phase. Zeta potential measurements demonstrated enhanced negative surface charge at high supersaturation, particularly for anethole (−38.8 ± 0.75 mV) and potassium citrate (−28.5 ± 0.75 mV), suggesting improved colloidal stability and reduced aggregation tendency. Collectively, the findings indicate that these phytochemicals modulate CaOx nucleation, growth, and aggregation through supersaturation-dependent interfacial interactions. The integrated kinetic, structural, and morphological analyses presented here provide further insight into phytochemical-mediated regulation of calcium oxalate crystallization, although additional in vivo and clinical studies are required to establish therapeutic relevance.</p>\u0000 </div>","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"61 8","pages":""},"PeriodicalIF":1.9,"publicationDate":"2026-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148752794","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}
引用次数: 0
Design and Growth of Piperazine-1,4-diium Bis (Salicylate) Crystals Toward Efficient Third-Order Nonlinear Optical Applications 哌嗪-1,4-二钠双(水杨酸)晶体的设计和生长及其在三阶非线性光学中的应用
IF 1.9 4区 材料科学
Crystal Research and Technology Pub Date : 2026-08-05 DOI: 10.1002/crat.70137
Daphine R, Sahaya Infant Lasalle B, Muthu Senthil Pandian, Jingle Jabha D.F, Joselin R
{"title":"Design and Growth of Piperazine-1,4-diium Bis (Salicylate) Crystals Toward Efficient Third-Order Nonlinear Optical Applications","authors":"Daphine R,&nbsp;Sahaya Infant Lasalle B,&nbsp;Muthu Senthil Pandian,&nbsp;Jingle Jabha D.F,&nbsp;Joselin R","doi":"10.1002/crat.70137","DOIUrl":"https://doi.org/10.1002/crat.70137","url":null,"abstract":"<div>\u0000 \u0000 <p>Single crystals of Piperazine-1,4-diium bis (salicylate) (PSA) were grown successfully at room temperature using the slow evaporation solution method, with methanol as the solvent. The crystal structural parameters (unit cell and space group) were determined by single-crystal XRD. Hirshfeld surface analysis was then employed to visualize and to understand the types and strengths of intermolecular interactions present in the crystal lattice. Optical properties were studied through UV–Vis NIR absorption measurements, which revealed that the crystal exhibits strong transparency in the 410–1100 nm wavelength range, and this is an important factor for optical applications. The presence of various functional groups in the PSA crystal was confirmed using Fourier-transform infrared (FTIR) spectroscopy. Photoluminescence analysis revealed distinct emission peaks corresponding to ultraviolet (UV) light, indicating strong UV luminescence behavior. The electrical properties of the PSA crystal showed a low density of defects and a low value of dielectric loss found from the dielectric studies. Additionally, the mechanical stability of the crystal was examined using Vickers microhardness testing. The antibacterial activity of the PSA material was evaluated to explore its potential biomedical applications. To explore its potential in laser applications, the laser damage threshold (LDT) was measured using a single-shot Nd: YAG laser at 532 nm. Moreover, third-order nonlinear optical (NLO) parameters such as the nonlinear refractive index (n<sub>2</sub>), nonlinear absorption coefficient (β), and third-order susceptibility (χ<sup>(</sup><sup>3</sup><sup>)</sup>) were examined using the Z-scan method with a continuous-wave (CW) solid-state laser operating at a wavelength of 632.8 nm. These findings suggest that the PSA crystals could serve as promising materials for use in photonics and nonlinear optical devices.</p>\u0000 </div>","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"61 8","pages":""},"PeriodicalIF":1.9,"publicationDate":"2026-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148752449","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}
引用次数: 0
Spectroscopic Ellipsometry Investigation of Optical Constants and Dispersion Parameters of TlGaS2 Single Crystals TlGaS2单晶光学常数和色散参数的椭圆偏振光谱研究
IF 1.9 4区 材料科学
Crystal Research and Technology Pub Date : 2026-08-05 DOI: 10.1002/crat.70138
Giray Mecit, Mehmet Isik, Nizami Gasanly
{"title":"Spectroscopic Ellipsometry Investigation of Optical Constants and Dispersion Parameters of TlGaS2 Single Crystals","authors":"Giray Mecit,&nbsp;Mehmet Isik,&nbsp;Nizami Gasanly","doi":"10.1002/crat.70138","DOIUrl":"https://doi.org/10.1002/crat.70138","url":null,"abstract":"<div>\u0000 \u0000 <p>Spectroscopic ellipsometry measurements were performed on freshly cleaved layer-plane (001) surfaces of TlGaS<sub>2</sub> crystals, with the surface normal approximately oriented along the reciprocal-lattice direction <span></span><math>\u0000 <semantics>\u0000 <msup>\u0000 <mi>c</mi>\u0000 <mo>*</mo>\u0000 </msup>\u0000 <annotation>$c^ast$</annotation>\u0000 </semantics></math>, in the photon-energy range of 1.2–6.2 eV at room temperature. The measured ellipsometric parameters, acquired at a fixed incidence angle and analyzed using ambient–substrate model, were used to determine the dielectric function as well as the effective refractive index and extinction coefficient for the present oblique-reflection configuration. From these effective optical functions, corresponding absorption coefficient, optical penetration depth, and dielectric-related response functions were derived. The derived absorption spectrum exhibits a pronounced absorption-edge feature near 2.43 eV, as identified from the first derivative of the absorption coefficient with respect to photon energy. The low-energy dispersion behavior was analyzed using Wemple–DiDomenico single-oscillator model. In addition, the surface and volume energy-loss functions were evaluated to further characterize the effective electronic response in the measured geometry. The resulting effective optical parameters provide a configuration-specific description of the optical response of TlGaS<sub>2</sub>, relevant to optoelectronic and photonic applications. Because TlGaS<sub>2</sub> is a monoclinic and optically anisotropic crystal, these quantities do not represent the complete intrinsic dielectric tensor or separately resolved polarization-dependent optical constants of the material.</p>\u0000 </div>","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"61 8","pages":""},"PeriodicalIF":1.9,"publicationDate":"2026-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148752450","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}
引用次数: 0
Electrospray Crystallization of Stearic Acid: Effect of Processing Parameters on Wettability and Crystal Morphology 硬脂酸电喷雾结晶:工艺参数对润湿性和结晶形态的影响
IF 1.9 4区 材料科学
Crystal Research and Technology Pub Date : 2026-08-04 DOI: 10.1002/crat.70134
Angelo O. Silva, Alessandro R. Paulazzi, Rita de Cássia S. C. Valle, Ricardo A. F. Machado, Cintia Marangoni, Dachamir Hotza
{"title":"Electrospray Crystallization of Stearic Acid: Effect of Processing Parameters on Wettability and Crystal Morphology","authors":"Angelo O. Silva,&nbsp;Alessandro R. Paulazzi,&nbsp;Rita de Cássia S. C. Valle,&nbsp;Ricardo A. F. Machado,&nbsp;Cintia Marangoni,&nbsp;Dachamir Hotza","doi":"10.1002/crat.70134","DOIUrl":"https://doi.org/10.1002/crat.70134","url":null,"abstract":"<div>\u0000 \u0000 <p>Stearic acid is a non-toxic, biocompatible, and biodegradable compound, making it a highly promising candidate for the development of hydrophobic surfaces and coatings. Electrospray crystallization, a pivotal technique in materials science and surface engineering, has not been directly utilized with stearic acid as a hydrophobic precursor material. Therefore, in this research, Response surface methodology was employed to optimize the stearic acid coating by the electrospray crystallization process by investigating key operational parameters such as solid content, applied voltage, collector distance, and feed flow rate. These parameters were found to have a significant impact on the resultant contact angle, a critical measure of hydrophobicity in coatings. Scanning electron microscopy characterizations conducted at key experimental stages further revealed how these parameters influenced crystal size and morphology. This work provides fundamental knowledge into how electrospray operational parameters influence crystal properties, enabling the rational design of hydrophobic surfaces. These findings suggest potential applicability in areas such as self-cleaning materials, anti-fouling coatings, membranes, and microfluidic devices, although further studies involving dynamic wettability and durability are required to validate these applications.</p>\u0000 </div>","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"61 8","pages":""},"PeriodicalIF":1.9,"publicationDate":"2026-08-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148752528","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}
引用次数: 0
Impact of Iridium Crucible Aging on Cz-YAG Crystal Quality and Process Economy: A Data-Driven Study 铱坩埚时效对Cz-YAG晶体质量和工艺经济的影响:数据驱动研究
IF 1.9 4区 材料科学
Crystal Research and Technology Pub Date : 2026-07-31 DOI: 10.1002/crat.70135
Natasha Dropka, Xiao Le Ye, Kunal Meshram, Debajyoti Biswas, Martin Holena
{"title":"Impact of Iridium Crucible Aging on Cz-YAG Crystal Quality and Process Economy: A Data-Driven Study","authors":"Natasha Dropka,&nbsp;Xiao Le Ye,&nbsp;Kunal Meshram,&nbsp;Debajyoti Biswas,&nbsp;Martin Holena","doi":"10.1002/crat.70135","DOIUrl":"https://doi.org/10.1002/crat.70135","url":null,"abstract":"<p>The Czochralski (Cz) method is widely used for the growth of bulk yttrium aluminum garnet (YAG) crystals, but aging of iridium crucibles introduces thermal resistance and material loss that can adversely affect crystal quality and process efficiency. In this study, 555 CFD-generated synthetic datasets were used to investigate the influence of crucible degradation and other process parameters on heating power, interface deflection, and the ratio of growth rate to interface temperature gradient (v/G<sub>n</sub>). Machine learning techniques, including Lazy Predict, symbolic regression (SR), and artificial neural networks (ANN), were applied to evaluate predictive performance, while Shapley value analysis was used to interpret feature importance and nonlinear interactions. ANN provided the best predictions for heating power and interface deflection, whereas SR outperformed other methods for ln(v/G<sub>n</sub>). Shapley analysis identified iridium loss as a primarily negative factor limiting heating power, moderately influencing interface deflection, and indirectly reducing v/G<sub>n</sub>, while crystal rotation, pulling rate, and weight/size variables were also significant contributors. The results demonstrate that data-driven models can accurately predict Cz-YAG process outcomes and provide physically interpretable insights into the effects of crucible aging, supporting process optimization and improved crystal quality.</p>","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"61 8","pages":""},"PeriodicalIF":1.9,"publicationDate":"2026-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/crat.70135","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148617337","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}
引用次数: 0
Effects of Precursor Gas Pretreatment and Deposited Layers on Film Quality in MNVPE 前驱体气体预处理和沉积层对MNVPE薄膜质量的影响
IF 1.9 4区 材料科学
Crystal Research and Technology Pub Date : 2026-07-31 DOI: 10.1002/crat.70132
Tengyu Zhang, Yifan Li, Hui Zhang, Nan Gao, Xinjian Xie, Lifeng Bian, Yulong Fang, Guifeng Chen
{"title":"Effects of Precursor Gas Pretreatment and Deposited Layers on Film Quality in MNVPE","authors":"Tengyu Zhang,&nbsp;Yifan Li,&nbsp;Hui Zhang,&nbsp;Nan Gao,&nbsp;Xinjian Xie,&nbsp;Lifeng Bian,&nbsp;Yulong Fang,&nbsp;Guifeng Chen","doi":"10.1002/crat.70132","DOIUrl":"https://doi.org/10.1002/crat.70132","url":null,"abstract":"<div>\u0000 \u0000 <p>To improve the quality and growth efficiency of AlN films prepared by Metal Nitride Vapor Phase Epitaxy(MNVPE), AlN was deposited at different temperature stages on sapphire substrates treated with N<sub>2</sub> and Al vapor, followed by the epitaxial growth of AlN films. The morphology, stress, and other properties of the AlN films were analyzed. It was found that after treating the sapphire substrate with Al vapor, the AlN film grown under 1300°C for 20 min exhibited the best quality, the full width at half maximum (FWHM) of the (0002) and X-ray rocking curves was 436 arcsec and the surface roughness (RMS) reached 3.64 nm. Analysis revealed that the Al vapor etches the sapphire substrate and promotes grain coalescence and grain boundary reduction during the deposition of the intermediate-temperature AlN layer, providing driving forces for dislocation bending and annihilation in subsequent AlN growth. This work explores the effects of different precursor gases on substrate pretreatment and the mechanism by which the deposited layers influence film quality, offering significant insights for the preparation of high-quality AlN films.</p>\u0000 </div>","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"61 8","pages":""},"PeriodicalIF":1.9,"publicationDate":"2026-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148647859","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}
引用次数: 0
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