Crystal Growth & Design最新文献

{"title":"Real-Time Control of Lattice Matching of InGaAs on InP via Curvature-Based Operando MBE Monitoring","authors":"Clarisse Furgeaud,&nbsp;Philippe Regreny,&nbsp;Youri Rousseau,&nbsp;Guillaume Saint-Girons,&nbsp;Romain Bachelet,&nbsp;Alexandre Arnoult","doi":"10.1021/acs.cgd.6c00805","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00805","url":null,"abstract":"<p>Real-time control of lattice matching during epitaxial growth is a longstanding challenge in the fabrication of high-performance III−V semiconductor heterostructures. Strain relaxation and lattice mismatch critically affect device efficiency, particularly in epitaxial InGaAs/InP heterostructures widely used in optoelectronics. While numerous in situ monitoring techniques have been developed for growth monitoring or atomic flux control (RHEED, quartz crystal microbalance, beam flux monitoring by the Bayard-Alpert gauge, etc), they provide only indirect and/or condition-dependent information, with a lack of the required accuracy and reproducibility, limiting their applicability for dynamic and accurate control of the growth, composition, and strain. In this work, we demonstrate a fully <em>operando</em> approach to composition and strain management during molecular beam epitaxy (MBE) of InGaAs on InP based on <em>real-time</em> magnification-inferred curvature measurements. For the first time, we use curvature evolution to dynamically adjust the temperatures of group-III elemental effusion cells in real time, with the curvature signal as the sole input. This method allows for active strain compensation, by tuning the composition, throughout the entire growth process, ensuring lattice matching under varying conditions without interrupting the growth. Our curvature-driven control strategy provides a robust, transferable solution for lattice matching control in III−V heterostructures. It paves the way for adaptive epitaxial growth protocols where composition and strain can be tuned on the fly, with implications for in situ growth process automation and advanced device fabrication.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 19","pages":"7692–7699"},"PeriodicalIF":3.6,"publicationDate":"2026-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149124651","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":"Two Rare Earth-Based Sulfates with Enhanced Birefringence and Broad Optical Transparency Window","authors":"Chang Liu,&nbsp;Ji Qi,&nbsp;Zhiyong Bai,&nbsp;Yong Wang,&nbsp;Weiqi Huang,&nbsp;Lina Li,&nbsp;Junhua Luo","doi":"10.1021/acs.cgd.6c00796","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00796","url":null,"abstract":"<p>Discovering sulfate optical crystals with enhanced birefringence and a broad transparency window is of great interest but remains challenging. Herein, two new rare-earth sulfate crystals NaNH₄Y₂(SO₄)₄ and NaKY₂(SO₄)₄ were designed and successfully synthesized by introduction of rare-earth Y³⁺ ions into alkali metal sulfates. Transparent millimeter-sized single crystals were grown by a facile hydrothermal method, with NaNH₄Y₂(SO₄)₄ reaching dimensions up to 4 × 4 × 2 mm³. Both compounds are isostructural and built from identical structural units, namely [YO₈] dodecahedra and [SO₄] tetrahedra. They exhibit enhanced birefringence (0.040−0.044 at 550 nm) and a broad optical transmittance range with absorption cut-off edges below 200 nm. This work provides a valuable pathway for developing sulfate optical crystals that combine broad optical transparency with enhanced birefringence.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 19","pages":"7485–7491"},"PeriodicalIF":3.6,"publicationDate":"2026-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149124802","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":"InP Membrane Array and InGaAsP MQWs Laterally Grown on Si-Photonics 220 nm SOI","authors":"Menghui Lou,&nbsp;Zili Lei,&nbsp;Cong Zeng,&nbsp;Yu Han,&nbsp;Siyuan Yu","doi":"10.1021/acs.cgd.6c00658","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00658","url":null,"abstract":"<p>Selective lateral heteroepitaxy is a promising strategy for integrating high-density III−V membrane lasers on silicon-on-insulator (SOI) substrates. However, achieving large-area, high-density III−V membrane arrays on 220 nm silicon photonics SOI platforms and developing efficient InGaAsP-based gain media remain unresolved challenges. Here, we demonstrate the high-quality epitaxial growth of large-area, high-density InP membrane arrays on the standard 220 nm SOI Si photonics platform using selective lateral heteroepitaxy. The resulting membranes exhibit lengths of 10−50 μm and lateral widths of 6−6.5 μm, providing sufficient lateral dimensions for the fabrication of electrically pumped membrane lasers. Furthermore, we introduce InGaAsP/InP multiple quantum wells (MQWs) as the active material system. We systematically investigate the incorporation of InGaAsP during lateral growth, enabling precise composition control. Based on this, we realize tensile-strained InGaAsP MQWs providing TE_⊥-polarized gain in the O-band. These results highlight selective lateral heteroepitaxy as a promising route toward the monolithic integration of efficient III−V membrane laser arrays on Si photonics platform.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 19","pages":"7621–7628"},"PeriodicalIF":3.6,"publicationDate":"2026-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149093553","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":"Unraveling the Formation Mechanism of Salt Flowers","authors":"Zehui Zhang,&nbsp;Yaxin Lu,&nbsp;Yiming Gao,&nbsp;Jinxia Lian,&nbsp;Guosheng Shi","doi":"10.1021/acs.cgd.6c00701","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00701","url":null,"abstract":"<p>Crystals in nature and industry typically form simple morphologies, yet complex hierarchical structures from multicomponent solutions remain challenging to predict and control. Here, we report the spontaneous formation of biomimetic “salt flowers” through the vacuum evaporation of mixed NaCl and Na₂CO₃ aqueous solutions on the silicon surface. These structures consist of hexagonal star-like NaCl crystals atop dendritic Na₂CO₃, resembling natural flowers at macroscales. Experiments show that evaporation under vacuum induces coffee ring effect, where Na₂CO₃ nucleates and forms dendrites first at the edges of the droplet due to lower solubility. NaCl subsequently crystallizes at the center of the droplet into hexagonal star-like crystals. Selective ion adsorption bidirectionally regulates crystal habit, converting cubic NaCl into truncated polyhedral morphology and promoting anisotropic branching in Na₂CO₃. Evaporation flux modeling and capillary transport elucidate the spatial and temporal segregation and non-equilibrium self-assembly. Owing to high specific surface area, synergistic hygroscopic and ionic conduction properties, flower-like crystals exhibit significantly enhanced humidity response compared with cubic NaCl. This work reveals how simple environmental control and mutual ion interactions in multicomponent systems generate complex microstructures, offering a scalable, additive-free strategy for regulating structure and properties of salt-based materials, with potential applications in sensing, catalysis, and optics.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 19","pages":"7651–7659"},"PeriodicalIF":3.6,"publicationDate":"2026-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149093682","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":"Fluorescent Molecular Scaffold-Building Mononuclear Iron(II) Complexes Display Synergistic Spin Crossover and Fluorescence Behaviors","authors":"Xin-Xin Wang,&nbsp;Peng Chen,&nbsp;Shu-Man Gao,&nbsp;Xu Wang,&nbsp;Xue-Ru Wu,&nbsp;Zhi-Kun Liu,&nbsp;Feng Shao","doi":"10.1021/acs.cgd.6c00990","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00990","url":null,"abstract":"<p>Magnetic fluorescent bifunctional spin crossover (SCO) materials show switchable magnetic and optical properties and have attracted continuous research interest due to their potential application in magneto-optical switches and multi-sensors. Herein, we report two octahedral Fe(II) SCO complexes, namely, [Fe₂(1-isoTQA)₂(NCS)₄]·CH₂Cl₂ (<strong>1</strong>·CH₂Cl₂) and its desolvated sample, Fe₂(1-isoTQA)₂(NCS)₄ (<strong>1d</strong>), based on the fluorescent molecular scaffold ligand of <em>tris</em>(1-isoquinolylmethyl)amine (1-isoTQA). Magnetic studies revealed that <strong>1</strong>·CH₂Cl₂ exhibits two-step SCO behavior, while <strong>1d</strong> displays one-step, incomplete SCO behavior. Temperature-dependent fluorescence measurements indicated that the emission intensity of <strong>1d</strong> can be observed to increase synchronously with the spin transition. Moreover, the temperature-dependent structural analyses and theoretical calculations confirmed that the emission intensity can be modulated by the spin state through the energy-transfer mechanism.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 19","pages":"7830–7838"},"PeriodicalIF":3.6,"publicationDate":"2026-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149093701","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":"Promoting Photogenerated Hole Injection into Deep-Ultraviolet LEDs through a Reversed-Biased Selectively-Area-Grown n-GaN/i-GaN/p-GaN PIN Diode","authors":"Jianyu Liu,&nbsp;Chong Wang,&nbsp;Kai Guo,&nbsp;Kaixin Li,&nbsp;Xiaona Zhang,&nbsp;Chunshuang Chu,&nbsp;Kangkai Tian,&nbsp;Haoyan Liu,&nbsp;Dongyan Zhang,&nbsp;Yonghui Zhang,&nbsp;Naixin Liu,&nbsp;Jianchang Yan,&nbsp;Zi-Hui Zhang","doi":"10.1021/acs.cgd.6c00678","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00678","url":null,"abstract":"<p>This work proposes and demonstrates the integration of reverse-biased selective area growth n-GaN/i-GaN/p-GaN PIN diode into AlGaN-based deep ultraviolet light-emitting diodes (DUV-LEDs) to enhance their wall-plug efficiency (WPE). The PIN photosensitive structure is proposed to absorb trapped photons and convert them into electron−hole pairs through its photoconductive property. The simulation results suggest that the built-in electric field in the PIN junction causes the photogenerated holes to transport into the active region, potentially improving both the light extraction efficiency and the hole injection efficiency. In addition, the exposed p-GaN surfaces between the PIN column arrays facilitate the formation of low-resistance ohmic contacts. Compared with conventional DUV-LEDs, the device integrated with the PIN array achieves a 28.7% improvement in external quantum efficiency (EQE) under an injection current of 350 mA. The forward voltage is reduced from 7.62 V to 7.03 V. As a result, a 39.57% enhancement in WPE is obtained.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 19","pages":"7629–7637"},"PeriodicalIF":3.6,"publicationDate":"2026-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149093707","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":"Rational Coformer Screening of Multicomponent Crystals of Abiraterone Acetate Using Machine Learning (ML) and Multicomponent Hydrogen Bond Propensity (MCHBP): A Comprehensive Structural and Computational Investigation","authors":"Krishna Murthy Potla,&nbsp;Abhishek Sharma,&nbsp;Hemanth Kongara,&nbsp;Saurabh Srivastava,&nbsp;Amol G. Dikundwar","doi":"10.1021/acs.cgd.6c00806","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00806","url":null,"abstract":"<p>Multicomponent crystalline systems offer a viable approach to improving the physicochemical and pharmacokinetic properties of drugs, thereby enabling the rational optimization of solid forms through coformer identification. The conventional process relies on empirical knowledge and chemical intuition. To overcome traditional challenges, we developed a novel predictive framework that combines machine learning (ML) with molecular complementarity hydrogen-bond propensity (MCHBP) for efficient screening of coformers. The effectiveness of the method was confirmed in a proof-of-concept study of the pharmaceutical multicomponent system for abiraterone acetate (AA). The success of this process lies in the generation of high-quality three-dimensional molecular descriptors derived from accurate structures. The novelty of this study is that it uniquely obtains high-quality 3D descriptors using optimized structures with the MMFF94 force field. For each molecule, 1,826 three-dimensional Mordred descriptors were generated with RDKit software. We used two types of descriptor fusion strategies: concatenation (M1) and summation (M2). The performance of the ten machine learning models was evaluated; gradient boosting performed well among the other nine tested models. The predicted API-coformer pairs were ranked in descending order of their probabilities. However, the predicted probabilities of the top 20 candidates were very close, making further prioritization difficult. To refine the selection, we used the MCHBP ranking, which enhanced the matching of hydrogen-bond networks. Following the MCHBP analysis, we selected the top eight unreported coformers for experimental investigation. From these, seven new multicomponent phases were identified, and six multicomponent crystals of AA were confirmed through SCXRD: AA−2HBA, AA−23DHBA, and AA−24DHBA as cocrystals and AA−25DHBA, AA−26DHBA, and AA−246THBA·H₂O as salts. The type and nature of intermolecular interactions and their contributions were analyzed by Hirshfeld surface and fingerprint analyses. The electronic structure, charge transfer, and hydrogen bonding were analyzed by density functional theory at the DFT/B3LYP/6-311++G(d,p) level. The cocrystal and salt forms were differentiated using the quantum theory of atoms in molecules (QTAIM) and natural bonding orbital (NBO) analysis. Noncovalent interactions were analyzed by noncovalent interaction (NCI) and reduced density gradient (RDG) graphical user interfaces.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 19","pages":"7667–7682"},"PeriodicalIF":3.6,"publicationDate":"2026-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149100841","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":"Halogen-Tunable Mechanical Properties of the Photomechanical Molecular Crystals Based on Pyrrolo[2,3-b]pyridineylpropenones","authors":"Chao Chen,&nbsp;Xiqiao Yang,&nbsp;Jingbo Sun,&nbsp;Cheng Liu,&nbsp;Jiangbin Zhong,&nbsp;Kaiqi Ye,&nbsp;Ran Lu","doi":"10.1021/acs.cgd.6c00965","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00965","url":null,"abstract":"<p>Photomechanical molecular crystals, which convert light energy into mechanical motion, have attracted considerable attention because of their potential applications in actuators, soft robotics, and wearable electronic devices. Herein, we report a series of pyrrolo[2,3-<em>b</em>]pyridine-containing diarylpropenone derivatives that undergo highly regioselective and stereospecific solid-state [2 + 2] cycloaddition reactions. Each topochemical reaction affords a single photodimer, providing a green and efficient strategy for the stereospecific synthesis of cyclobutane derivatives. Upon irradiation with 365 nm light, the molecular crystals exhibit pronounced photomechanical bending driven by the photoinduced [2 + 2] cycloaddition. More importantly, the mechanical properties of the crystals can be systematically regulated through the position of halogen substitution. While the unsubstituted <strong>PEO</strong> forms brittle crystals, <strong>PEO-Cl</strong>^{<strong>3</strong>} and <strong>PEO-Br</strong>^{<strong>3</strong>} give rise to pronounced plasticity, whereas <strong>PEO-Cl</strong>^{<strong>5</strong>} and <strong>PEO-Br</strong>^{<strong>5</strong>} switch the mechanical response to excellent elasticity. Notably, the mechanically bent crystals retain their photomechanical responsiveness and continue to exhibit significant photoinduced bending, demonstrating the successful integration of mechanical reconfiguration and photomechanical actuation within a single crystalline material. Single-crystal structural analyses reveal that these distinct mechanical behaviors originate from different intermolecular interaction patterns and crystal packing modes induced by halogen substitution. This work demonstrates that positional halogen engineering provides an effective strategy for simultaneously tailoring crystal mechanics and photomechanical performance, opening new opportunities for the rational design of multifunctional photomechanical molecular crystals.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 19","pages":"7806–7815"},"PeriodicalIF":3.6,"publicationDate":"2026-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149124919","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":"Construction of a Donor−Acceptor Zinc-Based Organic Framework Incorporating a Benzothiadiazole Photosensitizer for Efficient Photocatalytic Dye Degradation","authors":"Huiping Chen,&nbsp;Hongming Chen,&nbsp;Guang Che,&nbsp;Rui Wang,&nbsp;Shuai Chang","doi":"10.1021/acs.cgd.6c00066","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00066","url":null,"abstract":"<p>Photocatalytic degradation has emerged as a sustainable and efficient alternative for mineralizing organic contaminants, owing to its utilization of abundant energy sources and environmental compatibility. To achieve efficient mineralization of organic pollutants in aqueous environments, a photosensitive zinc-based metal−organic framework (MOF), denoted as ZnL1, was synthesized. This framework incorporates mixed ligands with staggered energy levels, coordinated through zinc ions to function as complementary electron donors and acceptors. This design facilitates efficient photoinduced electron transfer (PET), significantly enhancing photocatalytic performance. ZnL1 achieves a degradation efficiency exceeding 99% for three common aromatic dyes, including rhodamine B, methyl orange, and congo red. Density functional theory (DFT) calculations indicate that the superior activity for ZnL1 originates from a PET process between the electron-donating ligand 2,5-dichloroterephthalic acid (H₂DCA) and the electron-accepting ligand 4,7-di(pyridin-4-yl)benzothiadiazole (PBT), which generates ^•O₂⁻ radicals required for the degradation of dye. This study presents a viable strategy for the development of high-performance heterogeneous MOF photocatalysts for organic contaminant remediation.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 19","pages":"7508–7514"},"PeriodicalIF":3.6,"publicationDate":"2026-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149124866","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":"Topology-Enforced Tetranuclear [M2Dy2] Stair-like Assembly: Interplay between Single-Ion Anisotropy and Long-Distance Dipolar Effects","authors":"Li-Hsin Chang,&nbsp;Cheng-Lun Tsai,&nbsp;Jérôme Long,&nbsp;Po-Heng Lin","doi":"10.1021/acs.cgd.6c00573","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00573","url":null,"abstract":"<p>We report the synthesis, crystal structures, and magnetic properties of three tetranuclear [M₂Dy₂] complexes, [Dy₂Ni₂(Hhmb)₂(hmb)₂(NO₃)₂(IMA)₂] (<strong>1</strong>), [Dy₂Cu₂(Hhmb)₂(hmb)₂(NO₃)₂(IMA)₂]·Acetone (<strong>2</strong>), and [Dy₂Cu₂(Hhmb)₂(hmb)₂(H₂O)₄(IMA)₂](CF₃SO₃)₂·4THF·2Acetone (<strong>3</strong>) (H₂hmb = 2-hydroxy-3-methoxyphenyl)methylene(benzonicotino)hydrazine; HIMA = Imidazole-1-ylacetic acid). These complexes feature a rare stair-like topology enforced by a rigid dual-protonation ligand framework. This step-like arrangement maintains a central {Dy₂} core while positioning the 3d metal ions at relatively large distances, providing a platform to probe the influence of remote paramagnetic centers on relaxation dynamics. Magnetic measurements reveal field-induced slow relaxation of the magnetization for complexes <strong>1</strong> and <strong>2</strong>, with markedly slower relaxation in the Ni²⁺ analogues compared to the isomorphous Cu²⁺ derivative, highlighting a detrimental effect of the paramagnetic Cu²⁺ centers despite their remote position. <em>Ab initio</em> calculations reveal that while <strong>1</strong> and <strong>2</strong> share nearly identical single-ion anisotropy profiles, the remote Cu²⁺ centers introduce weak dipolar fields that might accelerate the quantum tunneling. For complex <strong>3</strong>, the introduction of coordinated water molecules directly alters the coordination sphere, weakening the local axial crystal field and further exacerbating these disruptive effects. This work underscores the need to jointly consider single-ion axiality and long-range dipolar coupling when designing heterometallic single-molecule magnets.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 19","pages":"7556–7566"},"PeriodicalIF":3.6,"publicationDate":"2026-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149093590","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}