Crystal Research and Technology最新文献

{"title":"Growth Kinetics and Multifaceted Investigation on NLO Active 4-Methylanilinium Trichloroacetate Single Crystal for Optical Power Limiting Applications","authors":"Henista Jarly D,&nbsp;Jebamalar. A. S,&nbsp;Vinitha. G","doi":"10.1002/crat.70081","DOIUrl":"https://doi.org/10.1002/crat.70081","url":null,"abstract":"<div>\u0000 \u0000 <p>Organic single crystals of 4-methylanilinium trichloroacetate (4MATCA), exhibiting nonlinear optical properties, were grown from a methanol solvent by the slow evaporation solution growth method at ambient temperature. The crystallographic data of the developed crystal were gathered via single-crystal X-ray diffraction. The intermolecular interactions within the crystal lattice were quantitatively visualized using Hirshfeld surface analysis. FTIR spectroscopy provides detailed insights into the molecular structure by probing the vibrational modes associated with specific functional groups. Optical properties have been examined through UV–vis and fluorescence analysis. Using the thermogravimetric and differential thermal analysis, the thermal stability of the 4MATCA crystal has been found to be 130°C, and its mechanical stability was quantified by the Vickers microhardness test. Furthermore, SEM and EDAX analysis were performed to depict the surface morphology and to ensure the elemental constituents within the crystal, respectively. LDT measurements were employed to ascertain the maximum tolerance of the crystal to endure the laser-induced damage, yielding a value of 1 GW/cm². Third-order NLO behaviour of the 4MATCA organic crystal was assessed using the Z-scan approach, revealing a notable nonlinear susceptibility value of 5.488 × 10⁻⁶ esu.</p>\u0000 </div>","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"61 2","pages":""},"PeriodicalIF":1.9,"publicationDate":"2026-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147568538","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":"Growth Kinetics and Multifaceted Investigation on NLO Active 4-Methylanilinium Trichloroacetate Single Crystal for Optical Power Limiting Applications","authors":"Henista Jarly D,&nbsp;Jebamalar. A. S,&nbsp;Vinitha. G","doi":"10.1002/crat.70081","DOIUrl":"https://doi.org/10.1002/crat.70081","url":null,"abstract":"<div>\u0000 \u0000 <p>Organic single crystals of 4-methylanilinium trichloroacetate (4MATCA), exhibiting nonlinear optical properties, were grown from a methanol solvent by the slow evaporation solution growth method at ambient temperature. The crystallographic data of the developed crystal were gathered via single-crystal X-ray diffraction. The intermolecular interactions within the crystal lattice were quantitatively visualized using Hirshfeld surface analysis. FTIR spectroscopy provides detailed insights into the molecular structure by probing the vibrational modes associated with specific functional groups. Optical properties have been examined through UV–vis and fluorescence analysis. Using the thermogravimetric and differential thermal analysis, the thermal stability of the 4MATCA crystal has been found to be 130°C, and its mechanical stability was quantified by the Vickers microhardness test. Furthermore, SEM and EDAX analysis were performed to depict the surface morphology and to ensure the elemental constituents within the crystal, respectively. LDT measurements were employed to ascertain the maximum tolerance of the crystal to endure the laser-induced damage, yielding a value of 1 GW/cm². Third-order NLO behaviour of the 4MATCA organic crystal was assessed using the Z-scan approach, revealing a notable nonlinear susceptibility value of 5.488 × 10⁻⁶ esu.</p>\u0000 </div>","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"61 2","pages":""},"PeriodicalIF":1.9,"publicationDate":"2026-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147568534","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":"Crystallization Behavior of Synthesized CaO-Al2O3-Sc2O3 Rare Earth-Containing Slag","authors":"Lei Zhu,&nbsp;Junbo Ba,&nbsp;Fei Wang,&nbsp;Bin Yang,&nbsp;Baoqiang Xu","doi":"10.1002/crat.70080","DOIUrl":"https://doi.org/10.1002/crat.70080","url":null,"abstract":"<div>\u0000 \u0000 <p>This study investigates the crystallization behavior of CaO-Al₂O₃-Sc₂O₃ ternary synthetic slags to determine the effects of Sc₂O₃ content (4–14 wt.%) and CaO/Al₂O₃ ratios (0.54–1.32) on crystal formation. High-temperature thermodynamic experiments, combined with scanning electron microscopy (SEM) and energy-dispersive spectroscopy (EDS), were employed to analyze the crystallization kinetics of Sc₂O₃ and CaSc₂O₄ in isothermal and non-isothermal processes using the Johnson-Mehl-Avrami-Kolmogorov (JMAK) theory. In situ observations via high-temperature confocal laser scanning microscopy (HT-CLSM) within 1173–1873 K revealed that increasing the CaO/Al₂O₃ ratio (at fixed 14 wt.% Sc₂O₃) or elevating Sc₂O₃ content (at CaO/Al₂O₃ = 1.32) significantly enhanced Sc₂O₃ crystallization. The area fraction of the Sc₂O₃ phase reached up to 27.5% under optimal conditions (cooling rate = 1 K/min, holding time = 60 min, CaO/Al₂O₃ = 1.34, Sc₂O₃ content = 14 wt.%). Slower cooling rates and prolonged holding times further promoted crystalline phase formation. HT-CLSM analysis identified distinct phase transitions: amorphous Sc₂O₃ nucleation initiated at 1819 K, while CaSc₂O₄ crystallization began at 1699 K and reached completion at 1618 K. These findings provide critical insights into optimizing slag systems for efficient scandium recovery.</p>\u0000 </div>","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"61 2","pages":""},"PeriodicalIF":1.9,"publicationDate":"2026-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147568535","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":"Ultra-Wide Mid-Infrared Supercontinuum Generation in As2S3 Hexagonal-Core Photonic Crystal Fiber","authors":"Trong Dang Van,&nbsp;Khoa Dinh Xuan,&nbsp;Quang Nguyen Hong,&nbsp;Ben Chu Van,&nbsp;Lanh Chu Van","doi":"10.1002/crat.70082","DOIUrl":"https://doi.org/10.1002/crat.70082","url":null,"abstract":"<div>\u0000 \u0000 <p>This work introduces a newly designed As₂S₃-based photonic crystal fiber structure optimized for generating broadband mid-infrared supercontinuum under low peak power excitation. The hexagonal-core configuration enhances both dispersion and nonlinear characteristics by adjusting structural parameters. Two optimized models, F1 (<i>Λ</i> = 1.0 µm, f = 0.35) and F2 (<i>Λ</i> = 2.0 µm, f = 0.3), are investigated under femtosecond pulse pumping. Fiber F1 supports all-normal dispersion and generates a broadband spectrum from 1.8 to 6.5 µm at 3 kW using a 210 fs pulse. In contrast, fiber F2 yields an anomalous regime SC spectrum spanning 1.5-18 µm under 10 kW peak power and an 85 fs pulse. These findings confirm the applicability of the proposed fibers for MIR applications, such as molecular sensing, spectroscopic analysis, and food quality monitoring.</p>\u0000 </div>","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"61 2","pages":""},"PeriodicalIF":1.9,"publicationDate":"2026-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147568304","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":"Larvicidal Activity of Naringenin: Betaine Cocrystals Against Aedes Aegypti","authors":"Felipe Zaniol,&nbsp;Patricia Viera de Oliveira,&nbsp;Daniel Albeny-Simões,&nbsp;Jacir Dal Magro,&nbsp;José Vladimir de Oliveira","doi":"10.1002/crat.70076","DOIUrl":"10.1002/crat.70076","url":null,"abstract":"<p><i>Aedes aegypti</i> is a vector of arboviruses, including dengue, Zika, chikungunya, and yellow fever. Increasing resistance to chemical insecticides has driven the search for sustainable larvicidal alternatives. This study evaluates the larvicidal activity of naringenin and betaine, individually, as a physical mixture, and after processing by liquid-assisted grinding (LAG) and supercritical gas antisolvent (GAS) methods to determine whether solid-state modification enhances activity. Cocrystal formation was confirmed for the GAS product by XRD, DSC, and FTIR, while the LAG sample showed solid-state changes consistent with cocrystallization. SEM revealed reduced particle sizes, with the GAS product presenting the smallest mean diameter (27.60 ± 13.63 µm) compared with pure naringenin (88.76 ± 67.83 µm). In larvicidal assays, naringenin caused 91.33 ± 2.98% mortality at 90 mg L⁻¹, whereas betaine showed no significant effect. Both processed samples improved efficacy: LAG and GAS products displayed lower LD₅₀ values (70.79 and 83.17 mg L⁻¹) than naringenin alone (106.17 mg L⁻¹) and the physical mixture (116.68 mg L⁻¹). The GAS product achieved 100% mortality at 90 mg L⁻¹. These findings show that solid-state modification and particle size reduction enhance the larvicidal potential of naringenin, highlighting supercritical technology as a promising and sustainable strategy for <i>A. aegypti</i> control.</p>","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"61 2","pages":""},"PeriodicalIF":1.9,"publicationDate":"2026-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/crat.70076","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147268922","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":"Exploring the Structural, Thermodynamic, Optoelectronic, and Mechanical Properties of Nitrogen-Based Oxohalide Semiconductors for Solar Energy Devices","authors":"Ahmad Hussain,&nbsp;Sumaira Zafar,&nbsp;Nawishta Jabeen,&nbsp;Aseel Smerat,&nbsp;Khalil Hajlaoui","doi":"10.1002/crat.70078","DOIUrl":"https://doi.org/10.1002/crat.70078","url":null,"abstract":"<div>\u0000 \u0000 <p>Multifunctional properties of nitrogen-based oxohalide KNOX₂ (X = Br, Cl, and F) compounds are investigated by using GGA-PBE functional in (Density Functional Theory) DFT. X-ray diffraction (XRD) analysis reveals that for each compound there exists a characteristic peak at 38.45°, confirming the orthorhombic structure with space group Pnma. According to the obtained results, the electronic band structures of KNOX₂ (X = Br, Cl, and F) compounds indicate semiconductor behavior with indirect bandgaps of 1.507, 2.158, and 3.225 eV respectively, which are convenient for optoelectronic devices. Optical properties of materials are computed and discussed in terms of photon energy in order to comprehend the connection between light and its interaction with matter. Optical topologies predict high absorption, dielectric function and refractive index values in the visible and near ultraviolet (UV) regions indicating that these materials are good for solar energy applications. Furthermore, thermodynamic properties are explored by (Density Functional Perturbation Theory) DFPT method and the zero point energies of compounds are 0.9589, 0.9841, and 1.4478 eV, respectively. The change in zero-point energies demonstrates that atomic interactions and bond strengths are quite susceptible for all compounds. Mechanical characteristics exhibit anisotropic behavior in <i>XY</i>, <i>YZ</i>, and <i>XZ</i> planes. The mechanical characteristics (B/G &gt;1.75) demonstrate their ductility and suitability for next-generation photovoltaic solar cell applications.</p>\u0000 </div>","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"61 2","pages":""},"PeriodicalIF":1.9,"publicationDate":"2026-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146680385","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":"Cost-Effective Tulasi Extract Synthesis of Spinel Ag-NiFe2O4 NPs: Its Enhanced Electrochemical Mercury (Hg+) Spotting and Photo-Dye Degradation Applications","authors":"Khandugadahalli Nagarajappa Harish,&nbsp;Surendra Boppanahalli Siddegowda,&nbsp;Kiran Thimmaiah,&nbsp;Muniswamy Bhaskar,&nbsp;Kosagi Shyam Prasad,&nbsp;Syed Khasim,&nbsp;Kachamachenahalli Mallesh Girish,&nbsp;Sathish Reddy","doi":"10.1002/crat.70079","DOIUrl":"10.1002/crat.70079","url":null,"abstract":"<div>\u0000 \u0000 <p>The sustainable development of spinel Ag doped NiFe₂O₄ nanoparticle (ANF NPs) was successfully synthesized by the combustion method using green (<i>Tulasi)</i> extract as a fuel. The structural parameters of synthesized NPs was well examined through various spectral studies such as PXRD, SEM-EDAX, FT-IR, and UV–vis spectroscopy. The recorded results confirms ANF NPs is a more optimistic with controlled grain size (d = 16 nm). The influence of Ag doped NiFe₂O₄ nanoparticle on their electrochemical properties was effectively examined by cyclic-voltammetry (CV) and electrochemical impedance spectroscopy (EIS) under 0.1M KCl with 3-electrode assembly. The outcomes of prepared ANF-graphite electrode directs an excellent electrochemical-sensing activity on mercury detection at various scan rates of 3 mV/s. The impact of ANF NPs on photocatalytic properties was studied by using UV–vis absorbance technique. This describe the ability of ANF NPs as an advisable photocatalyst based on its photocatalytic performance on Malachite Green (MG) dye found to be 98.8 % for 135 min under Sunlight irradiation. The half-time (t_1/2) for photo-decolouration analysis of ANF NPs on MG dye was found to be 40 min ascertained by plotting (C/C₀) v/s time. This research work influences a new-insights into the electrochemical sensing on different chemical molecules and toxic pollutants.</p>\u0000 </div>","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"61 2","pages":""},"PeriodicalIF":1.9,"publicationDate":"2026-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146256389","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":"Exploring the Structural, Thermodynamic, Optoelectronic, and Mechanical Properties of Nitrogen-Based Oxohalide Semiconductors for Solar Energy Devices","authors":"Ahmad Hussain,&nbsp;Sumaira Zafar,&nbsp;Nawishta Jabeen,&nbsp;Aseel Smerat,&nbsp;Khalil Hajlaoui","doi":"10.1002/crat.70078","DOIUrl":"https://doi.org/10.1002/crat.70078","url":null,"abstract":"<div>\u0000 \u0000 <p>Multifunctional properties of nitrogen-based oxohalide KNOX₂ (X = Br, Cl, and F) compounds are investigated by using GGA-PBE functional in (Density Functional Theory) DFT. X-ray diffraction (XRD) analysis reveals that for each compound there exists a characteristic peak at 38.45°, confirming the orthorhombic structure with space group Pnma. According to the obtained results, the electronic band structures of KNOX₂ (X = Br, Cl, and F) compounds indicate semiconductor behavior with indirect bandgaps of 1.507, 2.158, and 3.225 eV respectively, which are convenient for optoelectronic devices. Optical properties of materials are computed and discussed in terms of photon energy in order to comprehend the connection between light and its interaction with matter. Optical topologies predict high absorption, dielectric function and refractive index values in the visible and near ultraviolet (UV) regions indicating that these materials are good for solar energy applications. Furthermore, thermodynamic properties are explored by (Density Functional Perturbation Theory) DFPT method and the zero point energies of compounds are 0.9589, 0.9841, and 1.4478 eV, respectively. The change in zero-point energies demonstrates that atomic interactions and bond strengths are quite susceptible for all compounds. Mechanical characteristics exhibit anisotropic behavior in <i>XY</i>, <i>YZ</i>, and <i>XZ</i> planes. The mechanical characteristics (B/G &gt;1.75) demonstrate their ductility and suitability for next-generation photovoltaic solar cell applications.</p>\u0000 </div>","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"61 2","pages":""},"PeriodicalIF":1.9,"publicationDate":"2026-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146680384","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":"Issue Information: Crystal Research and Technology 2'2026","authors":"","doi":"10.1002/crat.70075","DOIUrl":"10.1002/crat.70075","url":null,"abstract":"","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"61 2","pages":""},"PeriodicalIF":1.9,"publicationDate":"2026-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/crat.70075","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146139143","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":"Atomistic Insights Into Edge Dislocations and Grain Boundaries Effects on Mechanical Properties in CrFeMnNi High Entropy Alloy","authors":"Sanzida Naznin Mim,&nbsp;Zihad Hossain,&nbsp;Md. Riad Khan,&nbsp;Most. Meftaul Zannzti Kemi,&nbsp;Md. Lokman Ali","doi":"10.1002/crat.70073","DOIUrl":"10.1002/crat.70073","url":null,"abstract":"<div>\u0000 \u0000 <p>This study employs molecular dynamics (MD) simulations to investigate the mechanical properties of the <span></span><math>\u0000 <semantics>\u0000 <mrow>\u0000 <mi>C</mi>\u0000 <mi>r</mi>\u0000 <mi>F</mi>\u0000 <mi>e</mi>\u0000 <mi>M</mi>\u0000 <mi>n</mi>\u0000 <mi>N</mi>\u0000 <mi>i</mi>\u0000 </mrow>\u0000 <annotation>$CrFeMnNi$</annotation>\u0000 </semantics></math> high entropy alloy (HEA) with grain boundaries Σ5 and Σ13, as well as the structure without GBs and edge dislocations. To evaluate size-dependent effects, models of increasing dimensions (initial, four times larger, 9th times larger) were examined. The outcomes of our study reveal that the variation in atomic sizes among constituent elements causes lattice distortion, leading to deformation in HEAs. GB Σ5 exhibited increased strength and hardness, as evidenced by Young's modulus of 271.86 GPa, bulk modulus of 177.17 GPa, and shear modulus of 109.25 GPa, all higher than those of the non-GB system. In contrast, GB Σ13 demonstrated superior ductility, with Cauchy's pressure of 52.64 GPa, Poisson's and Pugh's ratios of 0.311 and 2.31, respectively, based on the initial model. The mechanical properties of HEA were seen to be greatly affected by the grain boundaries, which in turn influenced the ductility. Additionally, the study highlights that the inclusion of edge dislocations and grain boundaries significantly improves the yield strength of the <span></span><math>\u0000 <semantics>\u0000 <mrow>\u0000 <mi>C</mi>\u0000 <mi>r</mi>\u0000 <mi>F</mi>\u0000 <mi>e</mi>\u0000 <mi>M</mi>\u0000 <mi>n</mi>\u0000 <mi>N</mi>\u0000 <mi>i</mi>\u0000 </mrow>\u0000 <annotation>$CrFeMnNi$</annotation>\u0000 </semantics></math> HEA boosts its overall mechanical performance. This study reveals how grain boundaries affect HEAs' mechanics, highlighting GB engineering and dislocations for stronger, high-performance materials design.</p>\u0000 </div>","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"61 2","pages":""},"PeriodicalIF":1.9,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146139286","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}