Crystal Growth & Design最新文献

{"title":"van der Waals Epitaxy of Mechanically Separable AlN with Enhanced Crystalline Quality by Using a Double-Buffer-Layer Insertion","authors":"Bingchen Lv,&nbsp;Yang Chen*,&nbsp;Yuanyuan Yue,&nbsp;Jin Zhang,&nbsp;Xiaoyu Wei,&nbsp;Jianwei Ben,&nbsp;Ke Jiang,&nbsp;Shanli Zhang*,&nbsp;Xiaojuan Sun* and Dabing Li,&nbsp;","doi":"10.1021/acs.cgd.4c0155410.1021/acs.cgd.4c01554","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c01554https://doi.org/10.1021/acs.cgd.4c01554","url":null,"abstract":"<p >Aluminum nitride (AlN) stands as a cornerstone material in modern electronic and deep ultraviolet optoelectronic devices. However, the lack of homogeneous substrate makes the heteroepitaxy on foreign substrates mainstream but poses significant challenges in lattice and thermal mismatch. The van der Waals epitaxy (vdWE) of AlN on graphene essentially solves these challenges via the weak interfacial adhesion, while the structural destruction of graphene for improving the AlN nucleation results in the strong interfacial interaction and difficulty for epilayer separation. Here, a double-buffer-layer insertion is designed for the vdWE of AlN, in which the AlN epilayer is featured with enhanced crystalline quality and mechanically separable ability. The optimal growth procedure achieves a coalescent AlN surface with a low roughness of 0.77 nm, and the crystalline quality is enhanced by 33.8% with an extremely low stress of 0.11 GPa. Since the graphene is intactly separated with the AlN epilayer, the flexible photodetector based on the graphene–AlN junction is fabricated, showing a responsivity of 65.9 A W^–1, and it could maintain 61.9% of its initial performance as the bending curvature radius is 3.09 cm. The present strategy for AlN vdWE not only optimizes its nucleation characteristics but also promotes flexible applications for advanced devices.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 10","pages":"3317–3327 3317–3327"},"PeriodicalIF":3.2,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144097886","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Readily Observable Morphological Changes in Monoalkoxynaphthalene-Naphthaleneimide Donor–Acceptor Dyad Crystals Induced by Specific H/D Substitution","authors":"Qifan Xiao,&nbsp;Matthew R. Herbst,&nbsp;Serhii Vasylevskyi,&nbsp;Vincent M. Lynch and Brent L. Iverson*,&nbsp;","doi":"10.1021/acs.cgd.5c0030210.1021/acs.cgd.5c00302","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00302https://doi.org/10.1021/acs.cgd.5c00302","url":null,"abstract":"<p >Organic materials that can change their photophysical properties upon exposure to external stimuli have a wide-ranging list of potential applications. We have been exploring a series of monoalkoxynaphthalene-naphthaleneimide (MAN-NI) donor–acceptor dyads with alkyne linkers and appended alkyl side chains that undergo a dramatic solid-state orange-to-yellow polymorphic transition when exposed to stimuli such as heat or pressure. In the present study, the more significant changes in dyad design involving extended or saturated linkers as well as fluorinated side chains directed major crystal structure changes explaining why these derivatives did not display solid-state polymorphic transitions. Dyads with specifically deuterated side chains were also investigated in order to probe a previously identified nonconventional C–H···O hydrogen bond thought to play a critical role during the solid-state polymorphic transition. All of the deuterated MAN-NI derivatives crystallized with unit cells analogous to the nondeuterated version, and thus exhibited the expected solid-state orange-to-yellow polymorphic transitions. The surprising conclusion from the present study is that changes as subtle as specific H/D substitution can lead to a small but measurable geometric isotope effect (GIE), that is apparently amplified by the large number of such interactions involved in a solid structure, leading to significant and predictable changes of crystal morphology that are readily apparent to the naked eye. The bottom line is that for the MAN-NI dyad system, it appears possible to extrapolate from extraordinarily subtle changes in crystal packing geometry, not only the energetics of supramolecular assembly, but also the dynamics of crystal growth, and thus macroscopic morphology.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 10","pages":"3452–3463 3452–3463"},"PeriodicalIF":3.2,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144097884","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Self-Supported MXene V4C3-Derived VO2 Thermochromic Smart Window Materials: In Situ Synthesis and Performance Enhancement","authors":"Jiayi Tian,&nbsp;Peng Liu,&nbsp;Yahao Zhao,&nbsp;Wei Zheng,&nbsp;Gen Li,&nbsp;Changchun Han*,&nbsp;Wen Liu,&nbsp;Qing Li,&nbsp;Zhijie Den,&nbsp;Xinguo Ma,&nbsp;Furong Ye and Yizhong Huang*,&nbsp;","doi":"10.1021/acs.cgd.5c0010710.1021/acs.cgd.5c00107","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00107https://doi.org/10.1021/acs.cgd.5c00107","url":null,"abstract":"<p >Vanadium dioxide (VO₂) is a promising material for smart windows due to its metal–insulator transition that enables dynamic solar transmittance modulation. In this study, VO₂ (M) nanoparticles were synthesized using a novel approach involving the self-supported structure of V₄C₃ MXene derived from V₄AlC₃. Through selective etching, solvothermal oxidation and annealing, VO₂ (M) nanoparticles with enhanced thermochromic properties were produced. The self-supported structure of V₄C₃ MXene significantly reduced particle agglomeration and improved crystallinity, resulting in VO₂ (M) films with a luminous transmittance (<i>T</i>_lum) of up to 58.3% and a solar modulation ability (Δ<i>T</i>_sol) of 6.3%. The study also demonstrated that film thickness and hydrogen peroxide concentration critically influence optical and thermochromic performance. This study provides a new approach for the preparation of MXene-based VO₂ thermochromic smart window materials and is expected to promote their application in the field of building energy conservation.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 10","pages":"3354–3364 3354–3364"},"PeriodicalIF":3.2,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144097885","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"In Situ Growth of Ruby within Metal Jewelry Structures","authors":"Sofie Boons*,&nbsp;Michaela E. Whitehurst*,&nbsp;David Huson,&nbsp;Jason Potticary and Simon R. Hall,&nbsp;","doi":"10.1021/acs.cgd.5c0004410.1021/acs.cgd.5c00044","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00044https://doi.org/10.1021/acs.cgd.5c00044","url":null,"abstract":"<p >This work explores the innovative in situ growth of ruby crystals within metal jewelry structures, merging artistic creativity with scientific methodology. By re-exploring historical practices where art and science coexisted, this research highlights the potential of an interdisciplinary approach. Ruby crystals were grown via Al₂O₃–MoO₃ systems with a Cr₂O₃ dopant, both in isolation and into platinum structures, and the underlying crystal growth mechanism was explored, revealing a deeper understanding of the Molten INtermediate Decomposition (MIND) mechanism and MoO₃ flux methods. The feasibility of integrating crystal growth into jewelry design is demonstrated, and its potential impact on the field is explored. This process is proposed as a novel approach to jewelry making that celebrates the natural beauty of crystal growth features, challenging traditional perceptions of lab-grown gemstones.</p><p >In this work, we present an extraordinary innovation as a result of an interdisciplinary collaboration between art and science. In situ ruby growth within platinum jewelry pieces, designed as earrings and rings, underpins a scientific investigation into the underlying crystal growth mechanism for Al₂O₃−MoO₃ systems.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 10","pages":"3347–3353 3347–3353"},"PeriodicalIF":3.2,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acs.cgd.5c00044","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144098102","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Preparation and X-ray Structures of the Dipyridyl-Terminated Macrobicyclic Iron, Cobalt, and Nickel(II) Tris-α-dioximates: Synthetic Strategies toward Rod-like 3d-Metal Complexes with Terminal N-Donor Groups Possessing an Optimal Ligand Aspect Ratio","authors":"Ilya P. Limarev,&nbsp;Alexander S. Chuprin,&nbsp;Maxim A. Topchiy,&nbsp;Andrey F. Asachenko,&nbsp;Anna V. Vologzhanina,&nbsp;Pavel V. Dorovatovskii,&nbsp;Ekaterina G. Lebed and Yan Z. Voloshin*,&nbsp;","doi":"10.1021/acs.cgd.5c0026410.1021/acs.cgd.5c00264","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00264https://doi.org/10.1021/acs.cgd.5c00264","url":null,"abstract":"<p >Dipyridyl-terminated cobalt and nickel(II) tris-nioximates were prepared by the template reaction of a given alicyclic α-dioxime with 4-pyridylboronic acid on the corresponding M²⁺ ion as a matrix. Attempts to prepare their tris-glyoximate analogues possessing an optimal ligand aspect ratio by the same synthetic approach were unsuccessful. Therefore, a rational multistage pathway toward them was elaborated. It is based on a postsynthetic functionalization of their reactive diiodoclathrochelate precursors and includes, in its first stage, palladium-catalyzed Sonogashira cross-coupling reactions with ethynyltrimethylsilane. Further cleavage of the trimethylsilyl groups in thus-obtained macrobicyclic products gave the bis(alkyne)-terminated clathrochelates, undergoing copper-catalyzed azide–alkyne cycloaddition reactions with the azidopyridine component to give the target clathrochelates. Thus, the prepared new diamagnetic iron(II) tris-glyoximate clathrochelates and paramagnetic cobalt- and nickel(II) tris-nioximates were characterized using elemental analysis, MALDI-TOF mass spectrometry, UV–vis, and ¹H NMR spectroscopies and by single-crystal XRD experiments for six of them. Nickel and cobalt(II) complexes have an almost trigonal-prismatic (TP) MN₆-coordination polyhedra, while the geometry of FeN₆-polyhedra is intermediate between a TP and a trigonal antiprism. Values of the ligand aspect ratio for them vary in a wide range from 1:1.3 up to approximately 1:4.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 10","pages":"3441–3451 3441–3451"},"PeriodicalIF":3.2,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144098103","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Thermotropic Approach from {Mn4} Cluster to One-Dimensional Coordination Polymer: Structure Conversion and Enhanced Magnetocaloric Effect","authors":"Gui-Quan Guo*,&nbsp;Zhao-Ting Pan,&nbsp;Da-Hui Zhang,&nbsp;Xi-Lin Wu,&nbsp;Hai-Ye Li* and Fu-Ping Huang*,&nbsp;","doi":"10.1021/acs.cgd.5c0037510.1021/acs.cgd.5c00375","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00375https://doi.org/10.1021/acs.cgd.5c00375","url":null,"abstract":"<p >Monitoring the assembly process of coordination polymers (CPs) is crucial for elucidating the assembly mechanism and developing new CPs with well-defined structures and functions. In this paper, a one-dimensional coordination polymer of {Mn2-1D} have been constructed from discrete {Mn4} clusters, along with thermal dehydration. The thermotropic dimension augmentation process was monitored via single crystal/powder X-ray diffraction (SC/P-XRD), infrared spectroscopy and Raman spectroscopy. Additionally the enhanced magneto-thermal properties of CPs were investigated. During the dimension augmentation, the magnetic entropy change values increased from 26.92 J K^–1kg^–1 in {Mn4} to 36.78 J K^–1kg^–1 in {Mn2-1D} (<i>T</i> = 2 K, Δ<i>H</i> = 7 T).</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 10","pages":"3548–3554 3548–3554"},"PeriodicalIF":3.2,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144098101","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Highly Thermal-Stable and Transparent Conductive Au-Based Thin Films through Al Doping","authors":"Panmei Liu,&nbsp;Jianbo Zhang,&nbsp;Shuo Ma,&nbsp;Yuan Huang and Zumin Wang*,&nbsp;","doi":"10.1021/acs.cgd.5c0016810.1021/acs.cgd.5c00168","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00168https://doi.org/10.1021/acs.cgd.5c00168","url":null,"abstract":"<p >Improving the wetting and thermal stability of thin metal films on the oxide substrates is essential to developing ultrathin, low-loss, and thermally stable metal films used for electronic and optoelectronic devices. Here, it is found that the wetting and thermal stability of thin Au films on the oxide substrates can be <b>simultaneously</b> improved by doping a small amount of Al (about 8 at. %) into Au. The Au(Al) film obtained full coverage on the ZnO substrate at a significantly low film thickness of 6 nm. Such Au(Al)/ZnO film with a 6 nm-thick Au(Al) layer exhibits low electrical resistivity (4.19 × 10^–7 Ω·m) and high optical transmittance (84% at λ = 550 nm). The surface morphology, surface roughness, and electrical conductivity of the Au(Al)/ZnO film with a 15 nm-thick Au(Al) layer remain practically unchanged upon annealing at temperatures <b>as high as 500 °C</b>. Quantitative thermodynamic calculations reveal that the significant improvement in the wetting and thermal stability of the Au(Al)/ZnO film originates fundamentally from the Al-induced decrease in the Gibbs energies of the Au(Al)|ZnO interface and the Au(Al) surface. These findings thus shed light on the development of transparent conductive metal films for high-temperature electronic and optoelectronic devices.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 10","pages":"3365–3373 3365–3373"},"PeriodicalIF":3.2,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144098271","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Discovery of Cilnidipine Cocrystals with Enhanced Dissolution by the Use of Computational Tools and Semiautomatic High-Throughput Screening.","authors":"Matteo Guidetti, Rolf Hilfiker, Susan M De Paul, Annette Bauer-Brandl, Fritz Blatter, Martin Kuentz","doi":"10.1021/acs.cgd.5c00184","DOIUrl":"10.1021/acs.cgd.5c00184","url":null,"abstract":"<p><p>Cocrystals are an attractive option for overcoming drug limitations, such as a low dissolution rate and absorption of poorly water-soluble compounds. Nevertheless, the discovery of new cocrystals remains a trial-and-error approach in which hundreds of coformers and several experimental methods are often tested. To streamline the cocrystal screening, computational methods can be used to select the coformers most likely to form a cocrystal, while high-throughput screening (HTS) approaches can rapidly screen them experimentally. In this manuscript, a new cocrystal of the extremely poorly soluble drug cilnidipine (solubility ≈30 ng/mL, 0.06 μM) was successfully discovered by applying HTS approaches. Only one cocrystal resulted from the screening with a total of 52 coformers, whereby the computational approach molecular complementarity successfully ranked this coformer (<i>p</i>-toluenesulfonamide) at the third position of the screening list. Dissolution studies conducted on the cocrystal in blank FaSSIF (fasted-state simulated intestinal fluid) and FaSSIF pH 6.5 revealed enhanced drug dissolution with a maximum achieved supersaturation equal to seven times the solubility of the crystalline drug. Dissolution rates of drug and coformer were compared for better mechanistic understanding of the cocrystal dissolution-supersaturation-precipitation behavior. The case of cilnidipine with a rare occurrence of cocrystals emphasized the importance of using joint computational and HTS approaches to enable successful cocrystal identification for pharmaceutical development.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 10","pages":"3374-3385"},"PeriodicalIF":3.2,"publicationDate":"2025-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12100653/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144140941","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Discovery of Cilnidipine Cocrystals with Enhanced Dissolution by the Use of Computational Tools and Semiautomatic High-Throughput Screening","authors":"Matteo Guidetti,&nbsp;Rolf Hilfiker,&nbsp;Susan M. De Paul,&nbsp;Annette Bauer-Brandl,&nbsp;Fritz Blatter and Martin Kuentz*,&nbsp;","doi":"10.1021/acs.cgd.5c0018410.1021/acs.cgd.5c00184","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00184https://doi.org/10.1021/acs.cgd.5c00184","url":null,"abstract":"<p >Cocrystals are an attractive option for overcoming drug limitations, such as a low dissolution rate and absorption of poorly water-soluble compounds. Nevertheless, the discovery of new cocrystals remains a trial-and-error approach in which hundreds of coformers and several experimental methods are often tested. To streamline the cocrystal screening, computational methods can be used to select the coformers most likely to form a cocrystal, while high-throughput screening (HTS) approaches can rapidly screen them experimentally. In this manuscript, a new cocrystal of the extremely poorly soluble drug cilnidipine (solubility ≈30 ng/mL, 0.06 μM) was successfully discovered by applying HTS approaches. Only one cocrystal resulted from the screening with a total of 52 coformers, whereby the computational approach molecular complementarity successfully ranked this coformer (<i>p</i>-toluenesulfonamide) at the third position of the screening list. Dissolution studies conducted on the cocrystal in blank FaSSIF (fasted-state simulated intestinal fluid) and FaSSIF pH 6.5 revealed enhanced drug dissolution with a maximum achieved supersaturation equal to seven times the solubility of the crystalline drug. Dissolution rates of drug and coformer were compared for better mechanistic understanding of the cocrystal dissolution–supersaturation–precipitation behavior. The case of cilnidipine with a rare occurrence of cocrystals emphasized the importance of using joint computational and HTS approaches to enable successful cocrystal identification for pharmaceutical development.</p><p >A new cocrystal of cilnidipine with <i>p</i>-toluenesulfonamide, which exhibits enhanced dissolution properties, was discovered by using a combined computational and high-throughput cocrystal screening approach. The complementarity score method effectively identified <i>p</i>-toluenesulfonamide as one of the top-ranked coformer candidates, placed 3rd out of 52 coformers.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 10","pages":"3374–3385 3374–3385"},"PeriodicalIF":3.2,"publicationDate":"2025-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acs.cgd.5c00184","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144098263","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structure and Magnetic Properties of a Series of Heptanuclear Ln3Mn4 Molecular Clusters Constructed with Phenyl-salicylaldoxime: Observation of a Significant Magnetocaloric Effect in Gd3Mn4","authors":"Congwu Qin,&nbsp;Changlong Zhou,&nbsp;Feng Pan,&nbsp;Rong Sun,&nbsp;Xiaofei Zhu*,&nbsp;Bing-Wu Wang* and Song Gao*,&nbsp;","doi":"10.1021/acs.cgd.5c0019910.1021/acs.cgd.5c00199","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00199https://doi.org/10.1021/acs.cgd.5c00199","url":null,"abstract":"<p >Magnetic polymetallic cluster compounds, with their variable structures and intricate magnetic properties, have garnered sustained interest in molecular magnetism. In this study, we constructed a series of isostructural heptanuclear 3d–4f clusters using phenyl-salicylaldoxime as a multidentate ligand, represented by the general formula [Ln₃Mn₄] (Ln = Gd, Dy, Tb, Er, and Y for <b>1Gd</b>, <b>2Dy</b>, <b>3Tb</b>, <b>4Er</b>, and <b>5Y</b>, respectively). Comprehensive crystallographic analyses and static magnetism studies were performed on these compounds. The magnetic investigations indicate that at low temperatures and high fields, the metal ions exhibit parallel alignment of magnetic moments, resulting in a large spin value. Notably, <b>1Gd</b> displayed a significant magnetocaloric effect (MCE) owing to its high ground-state spin and robust temperature and field responsiveness, with a magnetic entropy change (−Δ<i>S</i>_m) of 20.99 J kg^–1 K^–1 at 50 kOe and 6.0 K in the range of measurements, highlighting its potential as a promising candidate for magnetic refrigeration applications.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 10","pages":"3386–3393 3386–3393"},"PeriodicalIF":3.2,"publicationDate":"2025-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144098124","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}