Crystal Growth & Design最新文献

{"title":"Structural Diversity in Copper(II) Complexes with NNO Tridentate Schiff Bases and Chlorido Ligands: The Realm of N−H···O and N−H···Cl Hydrogen Bonds and Their Steric and Electronic Modulations","authors":"Matteo Mari,&nbsp;Stefano Baratti,&nbsp;Chiara Canovi,&nbsp;Anita Ballerini,&nbsp;Francesco Genua,&nbsp;Kevin D’Addazio,&nbsp;Samuele Pellacani,&nbsp;Alessio Nicolini,&nbsp;Lara Gigli,&nbsp;Maurizio Polentarutti,&nbsp;Simone d’Agostino,&nbsp;Dominga Rogolino,&nbsp;Mauro Carcelli,&nbsp;Luca Rigamonti","doi":"10.1021/acs.cgd.6c01323","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c01323","url":null,"abstract":"<p>In this paper, we investigated the N−H···O and N−H···Cl hydrogen bonds (H-bonds) in determining the crystal packing in copper(II) complexes with NNO tridentate Schiff bases and chlorido ligands of general formula [Cu(^GLn^R1,R2)(Cl)]. The ligands derive from the monocondensation of G-substituted salicylaldehydes with modulated electronic character (G-salH, G = NO₂, H, and OMe) and aliphatic diamines with either variable length or steric hindrance of the chain (Ln: L1 = ethylene bridge, en; L2 = propylene bridge, tn; and L3 = 2,2-dimethylpropylene bridge, Me₂tn) and different degrees of alkylation of the coordinated amino group (R1, R2 = H and Me). Structural data from both single crystal and powder X-ray diffraction studies were successfully obtained for nearly all synthesized compounds, and they all crystallize with no solvent molecules, allowing the study of the H-bonds among [Cu(^GLn^R1,R2)(Cl)] units without solvent interference. The synergism among the different steric and electronic factors, together with the tendency of copper(II) to modulate its coordination environment from square planar to square pyramidal or trigonal bipyramidal with the addition of a fifth position, reveals an intriguing structural diversity, which can also be envisaged with the help of multivariate analysis.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 21","pages":"9073–9084"},"PeriodicalIF":3.6,"publicationDate":"2026-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149308253","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":"Slipping into Solvates: Structure-Surface-Solvent Interplay in the Mechanochemical Solvate Formation of Ivacaftor","authors":"Argyro Chatziadi,&nbsp;Adéla Koryt’áková,&nbsp;Eliška Zmeškalová,&nbsp;Jan Rohlíček,&nbsp;Markéta Jarošová,&nbsp;Morgane Poupon,&nbsp;Luděk Ridvan,&nbsp;Miroslav Šoóš","doi":"10.1021/acs.cgd.6c00526","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00526","url":null,"abstract":"<p>Solvate formation in molecular crystals remains difficult to predict, particularly under non-equilibrium conditions, where the initial solid state, mechanically generated surfaces, anisotropic surface chemistry, and solvent properties collectively influence solid-solvent interactions. While mechanochemical processing is widely used to access new solid forms, the structural features that control solvent incorporation during mechanical activation are not yet well understood. In this work, we investigate mechanochemically induced solvate formation in ivacaftor as a model molecular crystal, focusing on the effects of solvent nature, liquid-additive volume, milling duration, and starting solid form. Form C transformed selectively to a solvate, in MeOH, THF, and DMSO, whereas the amorphous material exhibited broader solvate-forming behavior, including hydrate and non-polar solvate formation. The observed transformations could not be explained by solvent class or apparent dissolution capacity alone, demonstrating the importance of the starting solid state and specific host-solvent interactions. Crystal structure and surface analyses of form C identified the (200) plane as a plausible mechanically responsive plane whose alternative termination exposes polar groups involved in the resulting solvate structures. Overall, the results support a model in which mechanochemical solvate formation is governed by the interplay among the initial solid state, mechanically generated surfaces, and specific solid-solvent interactions.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 21","pages":"8676–8690"},"PeriodicalIF":3.6,"publicationDate":"2026-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149308268","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":"Urea Cocrystals for Sustainable Agriculture: Linking Supramolecular Design with Rhizosphere Function and Nutrient Use Efficiency","authors":"Deva Devan Chithambaranathan Amutha,&nbsp;Marimuthu Subramanian,&nbsp;Kannan Pandian,&nbsp;Subburamu Karthikeyan,&nbsp;Santhana Krishnan Vichangal Pridiuldi,&nbsp;Shubra Singh,&nbsp;Cheran Easwaran,&nbsp;Ratnadeep Kar","doi":"10.1021/acs.cgd.6c00937","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00937","url":null,"abstract":"<p>Urea, containing 46% nitrogen by weight, remains the most widely used nitrogen-based fertilizer in the world. However, 40 to 70% of the applied urea nitrogen is lost through ammonia volatilization, nitrate leaching, and nitrous oxide emissions. Enhanced efficiency fertilizers, such as polymer-coated urea and nano urea, improve nutrient release and use efficiency, but their effects on soil rhizosphere remain comparatively less studied. Urea-based cocrystals represent a supramolecular crystal engineering approach for next-generation fertilizer design. This review examines crystallographic, physicochemical, and biological factors that establish structure−property−function relationship along with coformer selection and its effect on agronomic performance. Lattice energy, synthon geometry, and crystal packing influence dissolution rate, hygroscopicity, and thermal stability of cocrystals. The R²₂(8) amide-acid heterosynthon commonly acts as a primary motif, and coformer characteristics influence nitrogen release. Cocrystal dissolution may also deliver bioactive coformers to the rhizosphere at controlled concentrations, potentially influencing microbial communities. Ionic cocrystals, such as CaSO₄.4urea and urea.ZnCl₂.KCl (ZnKU) may provide multinutrient benefits within a single crystalline lattice. Overall, urea cocrystals represent a promising platform for regulating nutrient release, reducing nitrogen losses, and delivering essential micronutrients along with rhizosphere interactions. This review identifies key research gaps, a roadmap for integrating artificial intelligence (AI)-based coformer discovery, scale-up, and field validation for commercial deployment.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 21","pages":"9105–9126"},"PeriodicalIF":3.6,"publicationDate":"2026-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149308168","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":"Regulation of Lysozyme Crystallization Using Fluorescent Carbon Dots as Heterogeneous Nucleating Agents","authors":"Zhipai Hu,&nbsp;Yaling Wang,&nbsp;Shuangfeng Ling,&nbsp;Xiaodan Li,&nbsp;Jiangtao Jia,&nbsp;Jianguo Wu,&nbsp;Dan Guo,&nbsp;Bin Liu,&nbsp;Bo Zhang","doi":"10.1021/acs.cgd.6c01348","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c01348","url":null,"abstract":"<p>Protein crystallization is critical for structural biology, and heterogeneous nucleation is an effective method for optimizing crystallization. Three fluorescent carbon dots (CDs) are used in this study as heterogeneous nucleating agents to improve crystallization. Their effects and intrinsic mechanism on lysozyme (Lys) crystallization are investigated. The results show that all three CDs exhibit excellent regulatory effects on Lys crystallization, with distinct differences among them. This may be closely related to the interactions between proteins and CDs as well as differences in the surface charge and functional groups of CDs. All three types of CDs can effectively improve the success rate of protein crystallization. Among which Green carbon dots (G-CDs) with high surface amino group content significantly promote crystal number and crystallization success rate by reducing nucleation energy barrier. Yellow carbon dots (Y-CDs) and Red carbon dots (R-CDs) have similar surface properties, leading to comparable crystallization promotion efficiency and enhancement of increasing the crystal size. This study firstly applies fluorescent CDs to the regulation of lysozyme crystallization, enabling the protein crystals to achieve fluorescence visualization. We also explored the intrinsic mechanism underlying the effects of CDs on protein crystallization. It will provide a new path for the optimization of protein crystallization and offer a theory basis for the interdisciplinary application of CDs in the biomedical field.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 21","pages":"9085–9096"},"PeriodicalIF":3.6,"publicationDate":"2026-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149308256","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":"Design and Structure−Activity Relationship Investigation of Organic Circularly Polarized Luminescent Materials via a Supramolecular Cocrystal Strategy","authors":"Qi Feng,&nbsp;Jiadong Zhou,&nbsp;Wenhui Huan,&nbsp;Xuebin Zhang,&nbsp;Mengyao Wang,&nbsp;LuBin Ni,&nbsp;Guowang Diao","doi":"10.1021/acs.cgd.6c00770","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00770","url":null,"abstract":"<p>A hydrogen bond−directed cocrystallization strategy was employed to resolve the racemic luminescent compound 1-acetyl-3-phenyl-5-(9-anthryl)pyrazoline (APAP) using enantiopure (<em>R</em>)-/(<em>S</em>)-binaphthol as cocrystal formers (CCFs). This approach enabled the successful isolation of homochiral cocrystals<span></span>(<em>R</em>)-APAP·(<em>R</em>)-binaphthol and (<em>S</em>)-APAP·(<em>S</em>)-binaphthol<span></span>each exhibiting distinct circularly polarized luminescence (CPL). Single-crystal X-ray diffraction and ¹H NMR spectroscopic analyses confirm a strict 1:1 stoichiometry between APAP and binaphthol in both cocrystals, along with near-identical lattice parameters and overall crystal packing motifs. Crucially, due to the exclusive incorporation of enantiomerically pure APAP and binaphthol components, the two cocrystals constitute a pair of perfect structural enantiomers, as evidenced by mirror-symmetric circular dichroism (CD) and CPL spectra. Moreover, the incorporation of binaphthol molecules disrupted the intrinsic π−π stacking interactions between anthracene chromophores in single-component APAP crystals. As a direct result of this structural reorganization, the solid-state photoluminescence quantum yield (Φ_F) is enhanced 5-fold relative to that of pristine racemic APAP crystals.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 21","pages":"8759–8765"},"PeriodicalIF":3.6,"publicationDate":"2026-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149308265","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":"Influence of Secondary Patterning on the Crystalline Quality of Epitaxial GaN Films","authors":"Rui Li,&nbsp;Yunfei Song,&nbsp;Wei Shen,&nbsp;Gai Wu,&nbsp;Kang Liang,&nbsp;Chunmin Cheng,&nbsp;Jiantao Zhou,&nbsp;Sheng Liu","doi":"10.1021/acs.cgd.6c00905","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00905","url":null,"abstract":"<p>Molecular dynamics simulations were employed to investigate the effects of planar, single-patterned, and secondary-patterned epitaxy on the crystalline quality of GaN thin films. Secondary-patterned epitaxy significantly improves atomic ordering, promotes the formation of stable wurtzite structures, and effectively suppresses stress accumulation and dislocation propagation during epitaxial growth. The average residual stresses of the planar, single-patterned, and secondary-patterned epitaxial films are −3.86 ± 0.32 GPa, −2.74 ± 0.24 GPa, and −0.98 ± 0.07 GPa, respectively. After patterning treatment, the dislocation density of epitaxial GaN thin films decreases from (4.10 ± 0.23) × 10¹³/cm² on planar substrates to (2.49 ± 0.37) × 10¹³/cm² after primary patterning and (1.12 ± 0.22) × 10¹²/cm² after secondary patterning, reducing the dislocation density of the epitaxial thin films by 1 order of magnitude. Meanwhile, the proportion of wurtzite structures increases from 54.1% to 62.0%, while the fraction of high-stress atoms increases from 7.5% to 4.0%. The multi-level cylindrical structures introduced by secondary patterning provide additional lateral growth channels and stress-relief pathways, which facilitate atomic rearrangement, lattice relaxation, and defect annihilation, thereby significantly enhancing the structural stability and crystalline quality of epitaxial GaN thin films.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 21","pages":"8833–8842"},"PeriodicalIF":3.6,"publicationDate":"2026-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149308257","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":"A Kinetic Model for Etching Nanoarchitectonics of Networked Solids via Pore Nucleation and Growth: Insights from Network Science and Experimental Validation","authors":"Yimin Wu,&nbsp;Taoran Zhou,&nbsp;Tianzi Li,&nbsp;Ming Hu","doi":"10.1021/acs.cgd.6c00870","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00870","url":null,"abstract":"<p>The dissociation of networked solids in corrosive liquids is of critical importance for processes such as cavity/pore fabrication, shaping, compositing, recycling, as well as guest storage and manipulation. However, the related quantitative kinetics remain unclear, hindering precise and autonomous processing-structure−property design. In this work, we develop a theory to describe the etching kinetics of networked solids that undergo etching through a pore-formation pathway. By analogizing to nucleation and growth of new phases during phase transformations, we proposed a nucleation-growth model for pores and established quantitative relationships among etching fraction, pore growth rate, and etching kinetics. The theoretical etching kinetics was validated by the experimental data from etching experiments on Prussian blue crystals and by network science simulation on simple-cubic lattices. Using network science simulations, we further revealed that the kinetics exponent <span><span></span><math><mi>k</mi></math></span> decreases as the vacancy fraction increases, which predicts 1D growth of pores at high vacancy fractions. This prediction was demonstrated by etching experiments on Prussian blue mesocrystals, suggesting the potential of the derived model in guiding the etching nanoarchitectonics of networked solids.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 21","pages":"8795–8808"},"PeriodicalIF":3.6,"publicationDate":"2026-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149308262","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":"Solvent and Light Dual-Responsive Dinuclear Dy(III) Single-Molecule Magnets: Coordination and Radical Effects on Magnetic Relaxation","authors":"Ya-Hui Wang,&nbsp;Jun-Wei Yan,&nbsp;Yu-Hang Wang,&nbsp;Shi-Kun Yan,&nbsp;Guang-Zhi Zhou,&nbsp;Qi-Yue Xin,&nbsp;Ya-Nan Zhang,&nbsp;Yu-Juan Ma,&nbsp;Guo-Ming Wang,&nbsp;Ji-Xiang Hu","doi":"10.1021/acs.cgd.6c01373","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c01373","url":null,"abstract":"<p>The controllable regulation of magnetic anisotropy and relaxation dynamics in lanthanide-based single-molecule magnets (SMMs) remains a central objective in molecular magnetism, particularly for the development of intelligent magnetic materials that require non-invasive and spatiotemporally precise control. Herein, two structurally distinct dinuclear dysprosium compounds were obtained through solvent-controlled assembly using 9-anthracenecarboxylic acid (9-HAC) as a photoactive ligand and 2,2′-biimidazole (2,2′-BIM) as an auxiliary component. The solvent-dependent coordination state of 2,2′-BIM produces markedly different Dy(III) coordination environments: in compound <strong>1</strong>, 2,2′-BIM coordinates to the Dy(III) center, whereas in compound <strong>2</strong>, it is protonated and remains as a lattice guest. As a result, compound <strong>1</strong> displays superior field-induced SMM behavior, reflecting a more favorable local ligand-field environment. Upon room-temperature light irradiation, both compounds undergo photoinduced electron transfer (PET) to generate stable organic radicals, which magnetically interact with the Dy(III) centers and attenuate the relaxation dynamics. Notably, compound <strong>2</strong> shows a much stronger radical-mediated effect, resulting in complete quenching of its SMM behavior after irradiation. This study proposes a dual-stimulation control method, in which the coordination environment regulated by the solvent determines the magnetic relaxation behavior and the generation of free radicals induced by light further affects the relaxation kinetics. Different from the previous PET-based photomagnetic Dy(III) systems that relied solely on light stimulation, this work introduces solvent regulation on this basis. By combining solvent-driven structural regulation with light-induced free-radical coupling, a synergistic magnetic control strategy is achieved, providing an effective approach for constructing multi-stimulation-responsive lanthanide molecular magnets with tunable relaxation kinetics.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 21","pages":"9097–9104"},"PeriodicalIF":3.6,"publicationDate":"2026-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149308274","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":"A Single Tetrel Atom Skeletal Editing Strategy for Tuning Geometric and Energetic Features of Tetrel Bonding","authors":"Yaseen A. Almehmadi,&nbsp;Rosa M. Gomila,&nbsp;Antonio Frontera,&nbsp;Jamal Lasri,&nbsp;Atash V. Gurbanov,&nbsp;Giuseppe Resnati,&nbsp;Kamran T. Mahmudov","doi":"10.1021/acs.cgd.6c01124","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c01124","url":null,"abstract":"<p>Tuning the strength and directionality of tetrel bonding (TtB) in the R−Tt···Nu supramolecular synthon (R = all residues covalently bonded to Tt; Tt = C, Si, Ge, Sn, or Pb; Nu = nucleophile) by changing R, Tt, or Nu is an effective strategy for controlling/improving the function and properties of tetrel compounds in chemistry and chemical biology. In this work, we experimentally and theoretically investigate the impact of altering a single tetrel atom Tt on the strength and directionality of inter- or intramolecular TtBs in a series of tetrel compounds taken from the Cambridge Structural Database. Due to the non-metal → metalloid → metal transitions in Group 14 (from C to Pb) and the steric crowding around tetravalent Tt atoms, there are multifaceted trends for the TtB features (e.g., donor ability of the tetrel atom, strength, and geometric features of the Tt···Nu interaction). The experimental insights are corroborated by DFT calculations performed at the PBE0-D3/def2-TZVP level of theory and rationalized using several computational tools.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 21","pages":"8978–8988"},"PeriodicalIF":3.6,"publicationDate":"2026-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149308243","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":"Effect of Growth Domain Height on 4‑Inch AlN Single Crystal Growth by PVT Method","authors":"Yajun Zhu,&nbsp;Wenhao Cao,&nbsp;Guodong Wang,&nbsp;Yuzhu Wu,&nbsp;Lingshuang Lv,&nbsp;Jiachen Du,&nbsp;Shouzhi Wang,&nbsp;Xiangang Xu,&nbsp;Lei Zhang","doi":"10.1021/acs.cgd.6c00319","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00319","url":null,"abstract":"<p>As a pivotal strategic material enabling third-generation semiconductors, aluminum nitride remains plagued by formidable challenges in the fabrication of large-size single crystals, where the growth domain height emerges as a dominant constraint on the achievable crystal dimensions. This study systematically investigates the effects of four growth domain heights on AlN growth behavior, focusing on the thermal field distribution, mass transport, source porosity, vapor composition, and thermal stress evolution. Results indicate that the growth domain height significantly regulates the crucible thermal field, with axial temperature differences becoming more pronounced as the height increases. Under optimized conditions, the thermal field exhibited optimal uniformity, maintaining a suitable supersaturation near the nucleation site with stable mass transport. The aluminum partial pressure peaked in the nucleation zone, favoring directional deposition and crystal growth, while low von Mises stress helped suppress defect formation. Conversely, excessive growth heights induced reverse vapor transport, spontaneous source nucleation, and an inadequate supply to the nucleation site. A negative correlation between the AlN crystal density and aluminum partial pressure was observed, reflecting the coupling between source−vapor interactions and transport kinetics. Finally, 4-in. AlN single-crystal substrates were successfully fabricated. High-resolution X-ray diffraction showed full-width at half-maximum values of 195 and 208 arcseconds for the (002) and (102) rocking curves, respectively, indicating that crystal quality meets basic application requirements while still requiring improvement. This study elucidates the mechanism by which the growth domain height regulates AlN crystal growth, providing a theoretical foundation for preparing high-quality, large-size AlN single crystals.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 21","pages":"8637–8645"},"PeriodicalIF":3.6,"publicationDate":"2026-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149308244","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}