Crystal Growth & Design最新文献

{"title":"Sol−Gel Concentration-Mediated WO3(002) Photoanodes: Synthesis and Photoelectrochemical Properties","authors":"Siyuan Liu,&nbsp;Huijing Yang,&nbsp;Songjie Li,&nbsp;Xiaomei Yu,&nbsp;Jinhua Lai,&nbsp;Jin You Zheng","doi":"10.1021/acs.cgd.6c01002","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c01002","url":null,"abstract":"<p>Photoelectrochemical (PEC) water splitting is a promising technology for producing clean hydrogen, but the slow rate of the oxygen evolution reaction (OER) severely limits its overall efficiency. WO₃ is a competitive n-type semiconductor for OER photoanodes owing to its low cost, good electron mobility, and suitable band structure. In this study, we successfully fabricated WO₃ photoanodes with preferred (002) crystal orientation via a simple sol−gel concentration strategy, without introducing any dopants or crystal-directing agents. The influence of calcination temperature and film thickness on PEC performance was systematically explored, and 500 °C was verified as the optimal calcination temperature for a well-crystallized structure and fast charge transfer. Under AM 1.5G simulated solar light and an applied potential of 1.57 V vs. RHE, the single-layer WO₃(002) photoanode achieves a photocurrent density of 0.40 mA cm⁻². Further thickness regulation via multi-layer spin-coating greatly improves light absorption and charge separation, and the optimized sample delivers a high photocurrent density of 2.11 mA cm⁻². Characterizations confirm that the concentrated precursor effectively induces selective growth of active (002) facets. This work proposes a low-cost, scalable approach to tailoring WO₃ crystal facets, providing valuable guidance for designing high-performance photoanodes for efficient PEC water splitting.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 19","pages":"7847–7857"},"PeriodicalIF":3.6,"publicationDate":"2026-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149093605","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":"Heteroepitaxial Growth of Single-Crystal Diamond on Amorphous Carbon under High Pressure and High Temperature","authors":"Hao Wang,&nbsp;Yilong Pan,&nbsp;Hongwei Wang,&nbsp;Tian Cui,&nbsp;Ning Chen","doi":"10.1021/acs.cgd.6c00651","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00651","url":null,"abstract":"<p>High-pressure and high-temperature (HPHT) heteroepitaxy enables diamond growth with dislocation densities approaching those of homoepitaxial crystals, yet the role of the amorphous carbon interlayer at the heterointerface remains poorly understood. Here, we investigate the nucleation and growth behavior of diamond on amorphous glassy carbon under HPHT conditions. Diamond nucleation on amorphous glassy carbon is achieved at 5.5 GPa by tuning nucleation temperature and duration, followed by single-crystal growth on the amorphous substrate. The resulting heteroepitaxial diamonds exhibit RC full widths at half maximum of 0.0037°−0.0142°, corresponding to dislocation densities as low as 10⁵−10⁶ cm⁻², comparable to conventional HPHT single crystals. Finite element simulations reveal that the confined growth structure reduces carbon concentration during the initial growth stage, suppressing random multi-site nucleation and polycrystalline competition, thereby enabling continuous growth from limited nucleation sites. In addition, stable growth on large-diameter glassy carbon seeds requires increased pit depth to provide sufficient relaxation time. These results clarify the role of amorphous carbon in HPHT heteroepitaxy and provide a feasible route for expanding seed selection in diamond growth.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 19","pages":"7595–7604"},"PeriodicalIF":3.6,"publicationDate":"2026-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149093587","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":"Growth Window, Morphology, and Chemical-State Evolution of Tensile-Strained GaP Nanostructures on GaAs(001) by Droplet Epitaxy","authors":"Ga Hyun Cho,&nbsp;Ju Young Lim,&nbsp;Jong Su Kim,&nbsp;Sung-Yul L. Park,&nbsp;Mun Seok Jeong,&nbsp;Jindong Song","doi":"10.1021/acs.cgd.6c00897","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00897","url":null,"abstract":"<p>Tensile-strained GaP nanostructures (anti-quantum dots, anti-QDs) were systematically fabricated on GaAs(001) by droplet epitaxy and mapped as a function of P₂ flux (5.0 × 10⁻⁸ to 2.4 × 10⁻⁶ Torr) and manipulator temperature during P₂ exposure (<em>T</em>_P = 200−300 °C). Atomic force microscopy and scanning electron microscopy reveal that the areal density remains nearly unchanged (∼39−55 μm⁻²), closely matching the initial Ga droplet density, indicating that nucleation is predetermined at the droplet-formation step and is insensitive to subsequent phosphorization conditions. In contrast, pronounced morphology transitions<span></span>dome → 4-fold → 2-fold → ring<span></span>emerge from the interplay of temperature-activated Ga surface diffusion, flux-dependent phosphorization and structural transformation kinetics, and GaAs(001) symmetry (⟨110⟩ dimer-row−induced diffusion anisotropy). Height−width statistics demonstrate a template-limited crystallization regime at <em>T</em>_P ≥ 250 °C, where the GaP height does not exceed the initial droplet height, while lateral dimensions may surpass the droplet footprint via spill-over−assisted overgrowth, evidencing a Ga-reservoir role of droplets at elevated temperatures. X-ray photoelectron spectroscopy of P 2p core levels further shows that morphology and detectable Ga−P bond formation are not one-to-one correlated: the integrated P−Ga peak area generally increases with temperature but exhibits a non-monotonic dependence on P₂ flux, indicating an optimal phosphorization window rather than a simple monotonic increase with phosphorus supply. Finally, cross-sectional HR-TEM confirms that the anti-QD morphology is preserved after 200 nm GaAs capping, revealing strain-related internal features while maintaining the buried structural integrity after overgrowth. These results establish a unified morphology−chemistry map for tensile-strained GaP/GaAs droplet epitaxy and identify surface kinetics and volatile group-V chemistry as tunable knobs to engineer anti-QD architectures beyond conventional temperature-only crystallization frameworks.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 19","pages":"7782–7792"},"PeriodicalIF":3.6,"publicationDate":"2026-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149093689","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":"Cooperative Regulation of Photoreactivity in Isostructural 9-Anthracenecarboxylate Complexes by Metal Ions and Benzimidazole Substituents","authors":"Guang-Zhi Zhou,&nbsp;Ya-Nan Zhang,&nbsp;Shi-Kun Yan,&nbsp;Ya-Hui Wang,&nbsp;Yu-Hang Wang,&nbsp;Qi-Yue Xin,&nbsp;Jun-Wei Yan,&nbsp;Ji-Xiang Hu","doi":"10.1021/acs.cgd.6c01127","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c01127","url":null,"abstract":"<p>Photochromic materials are capable of reversible or permanent modulation on optical and electronic characteristics under light excitation, thereby holding great application potential in optical switching, data storage, anti-counterfeiting technology and molecular electronic devices. For coordination complexes, the photoresponsive performances can be rationally optimized by screening photoactive ligands, ancillary ligands and central metal ions. In this study, a set of isostructural metal coordination complexes assembled from 9-anthracenecarboxylate and benzimidazole ligands is reported: [M(9-Ac)₂(2-MeBIM)₂] (<strong>1</strong>; M = Mn; <strong>2</strong>; M = Cd; <strong>3</strong>; M = Ni) and [M(9-Ac)₂(2-EtBIM)₂] (<strong>4</strong>; M = Mn; <strong>5</strong>; M = Cd; <strong>6</strong>; M = Ni), with 9-anthracenecarboxylic acid (9-HAc) served as the photoactive unit and 2-methylbenzimidazole (2-MeBIM) or 2-ethylbenzimidazole (2-EtBIM) adopted as ancillary ligands. Single-crystal X-ray diffraction confirms identical six-coordinate [MN₂O₄] geometries across the series, establishing a well-defined isostructural platform to isolate the effects of alkyl substitution (methyl vs. ethyl) and metal identity on photoresponsive behavior. Upon xenon lamp irradiation, the Mn and Cd complexes undergo distinct radical-mediated photochromism, with crystalline powders changing from pale yellow to yellow or yellowish-brown, as validated by UV−Vis, fluorescence, and electron paramagnetic resonance spectroscopies. In contrast, the Ni analogues remain photoinactive under identical conditions. Notably, comparative studies reveal that methyl substitution promotes stronger fluorescence quenching, whereas ethyl substitution accelerates coloration kinetics. This work provides a straightforward isostructural model to elucidate the cooperative interplay between alkyl substituents and metal ions in governing photochromic performance, thereby expanding the repertoire of 9-HAc-based photoresponsive coordination systems.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 19","pages":"7961–7972"},"PeriodicalIF":3.6,"publicationDate":"2026-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149093734","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":"Active Control of Crystal Nucleation and Growth Using Operando X-ray Imaging","authors":"Eslam M. Elbakry,&nbsp;Emma A. Pappas,&nbsp;Joshua C. Gibson,&nbsp;Daniel P. Shoemaker","doi":"10.1021/acs.cgd.6c00972","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00972","url":null,"abstract":"<p>The study and utility of novel functional materials are contingent upon obtaining large crystals, which are often grown by non-replicable, slow, and costly traditional methods. In principle, larger crystals can be obtained simply by limiting nucleation while allowing the steady growth of the existing crystals. This can be achieved in aqueous solutions by monitoring crystal formation and growth while controlling the temperature. Modern laboratory X-ray imaging provides a platform for observing crystallization with a wide field of view while being subjected to external stimuli, such as temperature changes, under real synthesis conditions. X-ray tomography has historically focused on passively monitoring and investigating the crystal growth of inorganic materials, without direct interference in the crystallization process. In this study, we utilize X-ray radiography to simultaneously monitor and actively control the crystallization process, thereby achieving rapid growth of large crystals and providing a full view of the process. Crystallization is controlled by hot-stage temperature regulation to prevent and redissolve smaller crystallites, yielding large crystals within short periods of time. As a case study, crystallization in the CsCl−CuCl₂−H₂O system is investigated. Large-sized crystals of CsCuCl₃ and Cs₃Cu₃Cl₈OH were produced from aqueous solutions within 4 and 16 h, respectively. We present two methods for growing large crystals: a guided approach that uses prior trials to pinpoint the temperatures for crystal formation, dissolution, and growth and an unguided approach without such trials. Our methodology serves as a framework for growing large crystals in emerging and unexplored solutions and is clearly aligned with evolving machine-vision approaches.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 19","pages":"7816–7821"},"PeriodicalIF":3.6,"publicationDate":"2026-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149093743","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":"Direct Optical Mapping of Hydrogen Bond Energies and the Emergence of a Nanourea-Stabilized Glassy Crystal Phase","authors":"Nidhi Kumari,&nbsp;Nishkarsh Kumar,&nbsp;Raju Sarkar,&nbsp;Nirmalya Ghosh,&nbsp;Susmita Roy,&nbsp;Soumyajit Roy","doi":"10.1021/acs.cgd.6c00922","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00922","url":null,"abstract":"<p>The ubiquitous hydrogen bond, a cornerstone of supramolecular chemistry, underpins diverse processes from catalysis mechanisms to rational artificial photosynthesis. The imperative optical determination of hydrogen bond strength during phase transition represents a critical frontier in contemporary scientific inquiry. This study introduces an innovative optical approach that leverages the dielectric properties of a surrounding medium to address this critical gap. Here, urea is utilized in a water−acetonitrile (co-solvent) system as a prototypical example to demonstrate a topology morphological unit of urea in a perturbed solvent system. We illustrate, quantify, and validate the H-bond-mediated topological unit configurations that emerge during phase transitions using complementray techniques, including MD simulations, Mueller matrix polarimetry, spectroscopy, and microscopy. Going a step further, by exploiting the system’s dielectric constant and applying a theoretical framework, we demonstrate the formation of a nanourea-enriched glassy crystal phase at an interface dynamically defined by two limiting dielectric bounds of the same hydrogen-bonded nanourea system. The design strategy described herein can emerge as a facile fabrication route for dynamical meta-materials.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 19","pages":"7793–7805"},"PeriodicalIF":3.6,"publicationDate":"2026-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149124756","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":"Atomic-Scale Mechanism Study of Medium-Range Order Clusters Evolution and Amorphous Incubation Layer Elimination in Hydrogenated Silicon Thin Films with Realistic Network","authors":"Yixiong Zhang","doi":"10.1021/acs.cgd.6c00988","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00988","url":null,"abstract":"<p>The medium-range order in plasma-deposited silicon thin films arises from kinetic competition among hydrogen-induced crystallization, dissociative incorporation, hydrogen etching, and surface diffusion, yet the quantitative role of this competition remains unclear. Incorporating results from molecular dynamics and first-principles calculations, a lattice-free continuous random network model is built that employs a kinetic Monte Carlo method driven by event-specific rates, where the Si−Si network evolves through these competing events. The onset height of Schläfli clusters and height-resolved Si−Si radial distribution functions are tracked from 373 K to 623 K. At low temperatures, diffusion and etching dominate, leaving the film amorphous and devoid of Schläfli clusters. With increasing temperature, crystallization and incorporation prevail, and the onset height decays nearly exponentially from 23 Å at 446 K to 1.5 Å at 623 K. At 623 K, the incubation layer vanishes and a structurally uniform interfacial layer forms. This work establishes the temperature-dependent competition between crystallization/incorporation and diffusion/etching as the mechanism controlling medium-range order, provides a unified kinetic framework for the diffusion, etching, and chemical annealing models, and identifies temperature windows in which this competition dictates the resulting nanostructure.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 19","pages":"7822–7829"},"PeriodicalIF":3.6,"publicationDate":"2026-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149124868","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":"Surface Adsorption and ROS Formation in α-Ag2WO4: Linking Theory and Photocatalytic Performance","authors":"Jeziel R. Santos,&nbsp;Mayra L. G. Rodrigues,&nbsp;Ana L. C. Doimo,&nbsp;Giovanna A. Grasser,&nbsp;Henrique Moreno,&nbsp;Júlia T. Ichikura,&nbsp;Marcio D. Teodoro,&nbsp;Miguel A. San-Miguel,&nbsp;Juan Andrés,&nbsp;Elson Longo,&nbsp;M. Assis","doi":"10.1021/acs.cgd.6c00818","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00818","url":null,"abstract":"<p>Understanding the relationship between surface structure and photocatalytic performance is essential for the development of semiconductor materials. In this study, hexagonal α-Ag₂WO₄ rods were investigated using a theoretical-experimental approach, highlighting the influence of surface-dependent reactivity on the generation of reactive oxygen species (ROS). Density functional theory calculations showed that the surfaces (001) and (101) favor H₂O adsorption and activation to form ^•OH radicals, while the (010) surface increased O₂ adsorption. Furthermore, coadsorption calculations revealed a synergistic interaction between H₂O and O₂, which favors ROS generation. The experimental data obtained for α-Ag₂WO₄ samples synthesized via a coprecipitation route in water, ammonia, and ethanol as solvents indicate the ability to tune defect and morphology without affecting its hexagonal structure. The highest crystallinity and anisotropy were observed for the samples synthesized in water. On the other hand, synthesis in ethanol yields higher defect densities and sub-coordinated silver quantum cluster-rich surfaces. The photocatalytic activity was evaluated considering rhodamine B under UV light, with and without air bubbling. The samples synthesized in aqueous medium exhibited enhanced response (approximately 76% removal), which can be ascribed to the greater reactivity of (001)/(101) exposed surfaces, and ^•OH radical generation, whose presence was confirmed by coumarin probes and scavenger tests. Under bubbling conditions, the sample synthesized in an ethanolic medium exhibited complete dye degradation<span></span>over 10 times faster compared to samples synthesized in water<span></span>which may be related to O₂ reduction activation pathways rather than H₂O-based mechanisms. DMA probing experiments and scavengers’ tests revealed higher ^•O₂⁻ and ¹O₂ generation under O₂-rich conditions, suggesting a higher availability of active sites for the reduction of oxygen into ROS species as a result of the defect-rich samples synthesized in ethanol. This work provides a practical strategy for tailoring α-Ag₂WO₄ particle morphology<span></span>engineering surfaces and controlling exposed facets<span></span>enabling selective ROS formation for enhanced photocatalytic response, which is essential for the rational development of advanced semiconductor photocatalysts.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 19","pages":"7700–7715"},"PeriodicalIF":3.6,"publicationDate":"2026-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149124965","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":"Interfacial Electronic Modulation and Carbon Confinement of MoS2/FeS2 Heterostructure Derived from Mechanochemical Reaction for Enhanced Sodium Storage Properties","authors":"Xinyu Xu,&nbsp;Yating Zhang,&nbsp;Lu Zhang,&nbsp;Yanhe Wang,&nbsp;Qingrui Yao,&nbsp;Hongjing Lu,&nbsp;Qibo Xia,&nbsp;Jin Yang,&nbsp;Yefeng Yang","doi":"10.1021/acs.cgd.6c01038","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c01038","url":null,"abstract":"<p>Molybdenum disulfide (MoS₂) is a promising anode material for sodium-ion batteries (SIBs) due to its layered structure and high theoretical specific capacity. However, it faces challenges such as low electronic conductivity, severe volume changes, and insufficient Na⁺ transport behaviors. Herein, a MoS₂/FeS₂ heterostructure confined in a three-dimensional conductive carbon framework (MoS₂/FeS₂/C) is constructed via a mechanochemical ball-milling method, followed by a one-step sulfurization process. The room-temperature mechanochemical reaction yields a Mo- and Fe-containing amorphous precursor, while the subsequent sulfurization facilitates the in situ formation of intimately coupled heterointerfaces of MoS₂/FeS₂. Comprehensive structural and electronic analyses reveal interfacial charge redistribution and local coordination reconstruction, which accelerate charge transfer and lower the Na⁺ diffusion barrier. Meanwhile, the carbon framework effectively buffers volume variations during repeated cycling. The resulting MoS₂/FeS₂/C anode delivers a high reversible capacity of 793 mAh g⁻¹ at 1 A g⁻¹, outstanding rate capability (522 mAh g⁻¹ at 5 A g⁻¹) and long-term cycling stability (575 mAh g⁻¹ at 5 A g⁻¹ over 1500 cycles). This work presents a mechanochemical reaction-guided interface architecture strategy for constructing sulfide heterostructures with enhanced sodium storage properties, emphasizing the significance of crystal interface design in advanced battery materials.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 19","pages":"7870–7883"},"PeriodicalIF":3.6,"publicationDate":"2026-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149124969","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":"Preparation of Facet-Free 8-Inch n-Type 4H-SiC Substrates","authors":"Xixi Xiong,&nbsp;Zhenxing Fu,&nbsp;Hongxi Wang,&nbsp;Xiaocheng Jiang,&nbsp;Wenhao Han,&nbsp;Linlin Che,&nbsp;Xianglong Yang,&nbsp;Xiufang Chen,&nbsp;Xuejian Xie,&nbsp;Guanglei Zhong,&nbsp;Guojian Yu,&nbsp;Guojie Hu,&nbsp;Xiaomeng Li,&nbsp;Xiangang Xu","doi":"10.1021/acs.cgd.6c00379","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00379","url":null,"abstract":"<p>During the growth of n-type 4H-SiC crystals by the PVT method, the resistivity in the facet region is lower than that in the non-facet region, which reduces cutting efficiency during laser slicing as the facet area requires repeated cutting. In addition, the facet region is prone to the multiplication of TEDs and stacking faults, resulting in a higher defect density that degrades the substrate quality. Therefore, the preparation of facet-free substrates is particularly important for improving the efficiency of laser cutting and the quality of the substrate. In this study, the growth was carried out on the 4° off-axis 4H-SiC seed with a diameter of 220 mm. A specific thermal field was constructed through theoretical analysis and thermal field simulation for crystal growth. In this thermal field, the facet was located at the edge of the crystal and had a small width. Subsequently, the facet was removed by off-center cropping during the rounding stage. Finally, facet-free 8-inch n-type 4H-SiC substrates were obtained through slicing, grinding, and polishing. Substrate scan images, resistivity distribution maps, and Raman mapping images of the LOPC mode confirmed that the obtained substrates were facet-free. The facet-free substrate exhibits a low TED density and is free of stacking faults, and its resistivity heterogeneity is only 0.9%, significantly lower than that of substrates with facets. Moreover, the in-plane free carrier concentration difference of the facet-free substrate was minimal, indicating high electrical property uniformity.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 19","pages":"7515–7524"},"PeriodicalIF":3.6,"publicationDate":"2026-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149124834","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}