Journal of Crystal Growth最新文献

英文中文

On the metastable zone width of sparingly-soluble compounds during controlled addition of reactants

IF 1.7 4区材料科学 Q3 CRYSTALLOGRAPHY

Journal of Crystal Growth

Pub Date : 2025-01-30 DOI: 10.1016/j.jcrysgro.2025.128079

Keshra Sangwal

Two novel approaches of metastable zone width (MSZW) for sparingly-soluble compounds by reaction crystallization based on known concepts of crystallization processes are proposed. In these approaches theoretical equations relating the MSZW of sparingly-soluble compounds with the feeding rate R_B of one of the reactants are derived from consideration of the dependence of stationary three-dimensional (3D) nucleation rate J of the solute on the generating supersaturation lnS described by power-law relation and classical nucletion (CN) theory. The final equations of the models are then used to analyze the published experimental MSZW data of reaction crystallization of Li₂CO₃, having a negative temperature coefficient of solubility in water, obtained between 10 and 80 °C from aqueous LiCl solutions by addition of aqueous Na₂CO₃ solution at different feeding rate R_B. Both models are found to describe experimental MSZW data satisfactorily. Procedures for calculations of the constants (nucleation constant K and nucleation order m) of the power-law approach and the preexponential constant A and the parameter B, containing the interfacial energy γ, of the CN theory and relationships between different constants are described and discussed. The main findings of the study are as follows:

(1)
The nucleation constant K is related with the preexponential factor A, whereas the nucleation order m is related with the interfacial energy γ_eff.
(2)
The preexponential factor A rapidly decreases with an increase in solution temperature T of Li₂CO₃ is associated with a decrease in the radius r_c of 3D nuclei and the parameter f related with the solute solubility c₀ with increasing T.
(3)
The experimentally observed values of γ_eff are lower than the theoretical values of γ for all T and suggests that Li₂CO₃ crystallization occurs by 3D heterogeneous primary nucleation in the entire investigated temperature interval.

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引用次数: 0

Design and photoresponse characteristics of dilithium phthalocyanine nanowires

IF 1.7 4区材料科学 Q3 CRYSTALLOGRAPHY

Journal of Crystal Growth

Pub Date : 2025-01-25 DOI: 10.1016/j.jcrysgro.2025.128072

Yanshu Shi , Mengke Guo , Xuekun Wang , Yiqian Wang , Jile Wang , Xiaoyun Qin , Yumin Song , Tingting Guo

Nanoscale crystal materials have received much attention in the field of photodetection due to their unique physical and chemical properties. In this study, dilithium phthalocyanine nanowires (Li₂Pc NWs) were grown by physical vapor deposition (PVD) in the relatively high temperature region. The diffraction peak positions and crystal parameters are reported for the first time. Photoresponse tests showed that the Li₂Pc NWs displayed stronger variations in photodark currents than the raw materials at both 0.5–10 V bias voltages and 395–850 nm irradiation wavelengths. The photoresponsivity of the Li₂Pc NWs was enhanced with increasing voltage, reaching a maximum photoresponsivity of 2.53 × 10⁻⁵ A·W⁻¹ at 10 V and 2.61 × 10⁻⁶ A·W⁻¹ at 455 nm. The unique crystal structure and good photoresponse indicate that Li₂Pc NWs have the potential to be applied in the field of photodetection, which provides new possibilities for their development.

{"title":"Design and photoresponse characteristics of dilithium phthalocyanine nanowires","authors":"Yanshu Shi , Mengke Guo , Xuekun Wang , Yiqian Wang , Jile Wang , Xiaoyun Qin , Yumin Song , Tingting Guo","doi":"10.1016/j.jcrysgro.2025.128072","DOIUrl":"10.1016/j.jcrysgro.2025.128072","url":null,"abstract":"<div><div>Nanoscale crystal materials have received much attention in the field of photodetection due to their unique physical and chemical properties. In this study, dilithium phthalocyanine nanowires (Li<sub>2</sub>Pc NWs) were grown by physical vapor deposition (PVD) in the relatively high temperature region. The diffraction peak positions and crystal parameters are reported for the first time. Photoresponse tests showed that the Li<sub>2</sub>Pc NWs displayed stronger variations in photodark currents than the raw materials at both 0.5–10 V bias voltages and 395–850 nm irradiation wavelengths. The photoresponsivity of the Li<sub>2</sub>Pc NWs was enhanced with increasing voltage, reaching a maximum photoresponsivity of 2.53 × 10<sup>−5</sup> A·W<sup>−1</sup> at 10 V and 2.61 × 10<sup>−6</sup> A·W<sup>−1</sup> at 455 nm. The unique crystal structure and good photoresponse indicate that Li<sub>2</sub>Pc NWs have the potential to be applied in the field of photodetection, which provides new possibilities for their development.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"654 ","pages":"Article 128072"},"PeriodicalIF":1.7,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143136468","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Influence of deuterium effect on the morphology of calcium sulfate hemihydrate whiskers

IF 1.7 4区材料科学 Q3 CRYSTALLOGRAPHY

Journal of Crystal Growth

Pub Date : 2025-01-23 DOI: 10.1016/j.jcrysgro.2025.128077

Tian-Bo Fan, Li-Qiang Jiao, Xin’ai Zhang, Qiu-Tong Li, Hong-Fan Guo, Xue Li

It was proposed that even ppm-level variations in deuterium content significantly impact the physical and chemical properties of water processes, a phenomenon known as the “deuterium effect.” To explore this effect on reactive crystallization morphology, calcium sulfate hemihydrate whiskers were synthesized via hydrothermal synthesis. Results show that as deuterium content decreases, the whiskers’ morphology improves, with smoother surfaces, reduced diameters, and increased lengths. Controlling reaction conditions can obtain whiskers with nanowire morphology. Solubility measurements of calcium sulfate, calcium chloride and magnesium sulfate in water with varying deuterium content reveal that the trend of decreasing deuterium content was similar to the effect of increasing temperature on solubility, suggesting that lower deuterium content enhances water activity, which in turn affects the morphology of crystallization in aqueous solutions. The results preliminarily confirmed the existence of deuterium effect and laid a foundation for its further application.

{"title":"Influence of deuterium effect on the morphology of calcium sulfate hemihydrate whiskers","authors":"Tian-Bo Fan, Li-Qiang Jiao, Xin’ai Zhang, Qiu-Tong Li, Hong-Fan Guo, Xue Li","doi":"10.1016/j.jcrysgro.2025.128077","DOIUrl":"10.1016/j.jcrysgro.2025.128077","url":null,"abstract":"<div><div>It was proposed that even ppm-level variations in deuterium content significantly impact the physical and chemical properties of water processes, a phenomenon known as the “deuterium effect.” To explore this effect on reactive crystallization morphology, calcium sulfate hemihydrate whiskers were synthesized via hydrothermal synthesis. Results show that as deuterium content decreases, the whiskers’ morphology improves, with smoother surfaces, reduced diameters, and increased lengths. Controlling reaction conditions can obtain whiskers with nanowire morphology. Solubility measurements of calcium sulfate, calcium chloride and magnesium sulfate in water with varying deuterium content reveal that the trend of decreasing deuterium content was similar to the effect of increasing temperature on solubility, suggesting that lower deuterium content enhances water activity, which in turn affects the morphology of crystallization in aqueous solutions. The results preliminarily confirmed the existence of deuterium effect and laid a foundation for its further application.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"653 ","pages":"Article 128077"},"PeriodicalIF":1.7,"publicationDate":"2025-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143128598","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Nucleation control and separation of metacetamol polymorphs through swift cooling crystallization process

IF 1.7 4区材料科学 Q3 CRYSTALLOGRAPHY

Journal of Crystal Growth

Pub Date : 2025-01-23 DOI: 10.1016/j.jcrysgro.2025.128078

Architha Natarajan, Srinivasan Karuppannan

This study explores the polymorphic control and separation of metacetamol in pure aqueous solution through swift cooling crystallization process. The impact of relative supersaturation

(σ = 0.76–16.19) created during crystallization process on the induction period, nucleation and morphology of metacetamol was investigated. Our findings demonstrate that lower relative supersaturation levels (σ = 0.76–2.84) facilitates the nucleation of only stable form I. At intermediate relative supersaturation levels (σ = 3.02–4.61), both form I and hemihydrate nucleated concomitantly, while at higher relative supersaturation levels (σ = 4.72–16.19) favoured only hemihydrate nucleation. Additionally, the induction time for nucleation decreased as relative supersaturation increased. External morphology of the nucleated form I and hemihydrate was examined using in-situ optical microscopy. Structural conformation and thermal behaviour of the grown polymorphs was determined by powder X-ray diffraction, differential scanning calorimetry analyses respectively. This method offers optimized nucleation regions for form I and hemihydrate of metacetamol.

{"title":"Nucleation control and separation of metacetamol polymorphs through swift cooling crystallization process","authors":"Architha Natarajan, Srinivasan Karuppannan","doi":"10.1016/j.jcrysgro.2025.128078","DOIUrl":"10.1016/j.jcrysgro.2025.128078","url":null,"abstract":"<div><div>This study explores the polymorphic control and separation of metacetamol in pure aqueous solution through swift cooling crystallization process. The impact of relative supersaturation</div><div>(σ = 0.76–16.19) created during crystallization process on the induction period, nucleation and morphology of metacetamol was investigated. Our findings demonstrate that lower relative supersaturation levels (σ = 0.76–2.84) facilitates the nucleation of only stable form I. At intermediate relative supersaturation levels (σ = 3.02–4.61), both form I and hemihydrate nucleated concomitantly, while at higher relative supersaturation levels (σ = 4.72–16.19) favoured only hemihydrate nucleation. Additionally, the induction time for nucleation decreased as relative supersaturation increased. External morphology of the nucleated form I and hemihydrate was examined using in-situ optical microscopy. Structural conformation and thermal behaviour of the grown polymorphs was determined by powder X-ray diffraction, differential scanning calorimetry analyses respectively. This method offers optimized nucleation regions for form I and hemihydrate of metacetamol.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"654 ","pages":"Article 128078"},"PeriodicalIF":1.7,"publicationDate":"2025-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143136691","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Extraordinary morphologies of ZnO particles grown in a lyotropic liquid crystalline phase

IF 1.7 4区材料科学 Q3 CRYSTALLOGRAPHY

Journal of Crystal Growth

Pub Date : 2025-01-20 DOI: 10.1016/j.jcrysgro.2025.128068

Minseo Kang , Shin-Woong Kang , Ji-Hoon Lee

Zinc oxide (ZnO) particles with extraordinary morphology and structure were observed after hydrothermal growth of the precursors in lyotropic liquid crystal (LLC) phase composed of discotic sunset yellow (SSY) molecules, sodium ions, and water. When the ZnO was grown in the conventional solution composed of zinc acetate (ZA) and hexamethylenetetramine (HMT), typical rodlike particles with hexagonal cross-section were observed. On the other hand, when the ZnO was grown in the nematic phase of the SSY, the lateral growth of the ZnO became prominent, forming discotic and donut-like particles. The lateral growth of the ZnO is thought to be induced by adsorption of the SSY and sodium ions on the polar surface of the ZnO nanorods (NRs). The morphologies and structure of the ZnO particles were experimentally analyzed, and a plausible growth model was suggested.

引用次数: 0

Ciprofloxacin-loaded copper oxide nanoparticles: Cutting-edge multifunctional nano-therapeutics with superior antidiabetic, antioxidant, anti-inflammatory, and antibacterial potency against drug-resistant pathogens

IF 1.7 4区材料科学 Q3 CRYSTALLOGRAPHY

Journal of Crystal Growth

Pub Date : 2025-01-19 DOI: 10.1016/j.jcrysgro.2025.128074

Ibtissam Laib , Abderrhmane Bouafia , Salah Eddine Laouini , Mahmood M.S. Abdullah , Hamad A. .Al-Lohedan , Ethar M. AlEssa , Johar Amin Ahmed Abdullah

This study presents a green, cost-effective synthesis of ciprofloxacin-loaded copper oxide nanoparticles (CIP@Cu₂O NPs), highlighting their potential as multifunctional therapeutics with superior antidiabetic, antioxidant, anti-inflammatory, and antibacterial activities, particularly against drug-resistant pathogens. Cu₂O nanoparticles were synthesized using ascorbic acid as a reducing agent, then functionalized with ciprofloxacin, resulting in CIP@Cu₂O NPs with improved biomedical properties. Comprehensive characterization through FT-IR, UV–Visible spectroscopy, X-ray Diffraction (XRD), and Scanning Electron Microscopy (SEM) verified the homogeneity, morphology, and crystalline structure of the nanoparticles, with SEM analysis revealing spherical to oval shapes and particle size enhancement from 26 nm for Cu₂O NPs to 38 nm upon ciprofloxacin loading. The optical properties, assessed through UV–Visible spectroscopy, showed direct and indirect bandgap energies ranging from 1.85 to 3.14 eV and 1.47 to 2.72 eV, respectively, while XRD confirmed the cubic crystal structure corresponding to the Cuprite phase. The multifunctionality of CIP@Cu₂O NPs was demonstrated through multiple assays: antioxidant activity with 44.89 % 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical inhibition at 700 µg/mL, strong anti-inflammatory response with up to 68 % inhibition at 800 µg/mL, and notable antidiabetic activity, achieving 97.95 % α-amylase and 85.74 % α-glucosidase inhibition at 80 µg/mL. Furthermore, antibacterial studies revealed enhanced efficacy against multiple bacterial strains, showing inhibition zones larger than those of Cu₂O NPs or ciprofloxacin alone. This synergy between ciprofloxacin and copper oxide underscores the potential of CIP@Cu₂O NPs as advanced nanotherapeutic agents for drug delivery, antimicrobial treatments, and management of oxidative stress-related diseases. The findings open pathways for the development of versatile, sustainable nanoparticles for complex therapeutic needs.

{"title":"Ciprofloxacin-loaded copper oxide nanoparticles: Cutting-edge multifunctional nano-therapeutics with superior antidiabetic, antioxidant, anti-inflammatory, and antibacterial potency against drug-resistant pathogens","authors":"Ibtissam Laib , Abderrhmane Bouafia , Salah Eddine Laouini , Mahmood M.S. Abdullah , Hamad A. .Al-Lohedan , Ethar M. AlEssa , Johar Amin Ahmed Abdullah","doi":"10.1016/j.jcrysgro.2025.128074","DOIUrl":"10.1016/j.jcrysgro.2025.128074","url":null,"abstract":"<div><div>This study presents a green, cost-effective synthesis of ciprofloxacin-loaded copper oxide nanoparticles (CIP@Cu<sub>2</sub>O NPs), highlighting their potential as multifunctional therapeutics with superior antidiabetic, antioxidant, anti-inflammatory, and antibacterial activities, particularly against drug-resistant pathogens. Cu<sub>2</sub>O nanoparticles were synthesized using ascorbic acid as a reducing agent, then functionalized with ciprofloxacin, resulting in CIP@Cu<sub>2</sub>O NPs with improved biomedical properties. Comprehensive characterization through FT-IR, UV–Visible spectroscopy, X-ray Diffraction (XRD), and Scanning Electron Microscopy (SEM) verified the homogeneity, morphology, and crystalline structure of the nanoparticles, with SEM analysis revealing spherical to oval shapes and particle size enhancement from 26 nm for Cu<sub>2</sub>O NPs to 38 nm upon ciprofloxacin loading. The optical properties, assessed through UV–Visible spectroscopy, showed direct and indirect bandgap energies ranging from 1.85 to 3.14 eV and 1.47 to 2.72 eV, respectively, while XRD confirmed the cubic crystal structure corresponding to the Cuprite phase. The multifunctionality of CIP@Cu<sub>2</sub>O NPs was demonstrated through multiple assays: antioxidant activity with 44.89 % 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical inhibition at 700 µg/mL, strong anti-inflammatory response with up to 68 % inhibition at 800 µg/mL, and notable antidiabetic activity, achieving 97.95 % α-amylase and 85.74 % α-glucosidase inhibition at 80 µg/mL. Furthermore, antibacterial studies revealed enhanced efficacy against multiple bacterial strains, showing inhibition zones larger than those of Cu<sub>2</sub>O NPs or ciprofloxacin alone. This synergy between ciprofloxacin and copper oxide underscores the potential of CIP@Cu<sub>2</sub>O NPs as advanced nanotherapeutic agents for drug delivery, antimicrobial treatments, and management of oxidative stress-related diseases. The findings open pathways for the development of versatile, sustainable nanoparticles for complex therapeutic needs.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"653 ","pages":"Article 128074"},"PeriodicalIF":1.7,"publicationDate":"2025-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143128599","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Crystallization of metformin HCl in the presence of pregelatinized starch for improvement of physicomechanical and pharmaceutical properties

IF 1.7 4区材料科学 Q3 CRYSTALLOGRAPHY

Journal of Crystal Growth

Pub Date : 2025-01-19 DOI: 10.1016/j.jcrysgro.2025.128076

Vaishali Thakkar , Vibhuti Patel , Saloni Dalwadi , Hardik Rana , Tejal Gandhi

引用次数: 0

A Comparative study of the influence of Zn ions as a growth catalyst on the physical and mechanical properties of MnFe2O4

IF 1.7 4区材料科学 Q3 CRYSTALLOGRAPHY

Journal of Crystal Growth

Pub Date : 2025-01-19 DOI: 10.1016/j.jcrysgro.2025.128073

M. Mostafa , A. Khalifa , O.M. Hemeda , M.I. Abd El Ati , Hamed Al- Sorory , Rizk M. Shalaby , Nermin A. Abdelhakim

The current study comprises the utilization of a flash auto combustion process to prepare nano-ferrites Mn_1-x Zn_x Fe₂O₄ (x = 0, 0.1, 0.2, 0.3 and 0.4). The structural features of the generated samples were characterized using X-ray diffraction (XRD), Fourier transition infrared spectroscopy (FTIR), and high resolution transmission electron microscopy (HRTEM). Scanning electron microscopy (SEM) was used to evaluate the surface morphology of the samples at different zinc concentrations. The spinel cubic Fd-3 m space group formed as a major phase, as proven by XRD patterns. The strength of the major peak (311) increases with increasing Zn concentration, showing an increase in crystallinity which signifies the growth catalytic effect of zinc ions. XRD was used to examine numerous microstructural parameters, including crystallite size, lattice constant, and x-ray density. FTIR investigation revealed the formation of a spinel structure in the ferrite systems. The presence of Zinc ions, which function as a catalyst for particle growth, explains why particle size increases as Zn content increases. SEM pictures show patchy and irregularly scattered grains, ranging in size from 1.409 μm to 3.300 μm with increasing Zn content. The magnetization curves exhibited low coercivity (Hc), indicating that our material is soft magnetic ferrite. Coercivity values are unpredictable due to zinc’s large ionic radii, which favor the creation of a regular spinel structure over a mixed spinel of nanocrystalline manganese ferrite, resulting in magnetic energy loss. The hardness decreased with increasing indentation time, but the average hardness values increased from 435.0 to 845.1 MPa as the zinc content of the matrix increased leads to the improve of abrasive capacity of our samples. The sample x = 0.4 exhibits high creep resistance.

{"title":"A Comparative study of the influence of Zn ions as a growth catalyst on the physical and mechanical properties of MnFe2O4","authors":"M. Mostafa , A. Khalifa , O.M. Hemeda , M.I. Abd El Ati , Hamed Al- Sorory , Rizk M. Shalaby , Nermin A. Abdelhakim","doi":"10.1016/j.jcrysgro.2025.128073","DOIUrl":"10.1016/j.jcrysgro.2025.128073","url":null,"abstract":"<div><div>The current study comprises the utilization of a flash auto combustion process to prepare nano-ferrites Mn<sub>1-x</sub> Zn<sub>x</sub> Fe<sub>2</sub>O<sub>4</sub> (x = 0, 0.1, 0.2, 0.3 and 0.4). The structural features of the generated samples were characterized using X-ray diffraction (XRD), Fourier transition infrared spectroscopy (FTIR), and high resolution transmission electron microscopy (HRTEM). Scanning electron microscopy (SEM) was used to evaluate the surface morphology of the samples at different zinc concentrations. The spinel cubic Fd-3 m space group formed as a major phase, as proven by XRD patterns. The strength of the major peak (311) increases with increasing Zn concentration, showing an increase in crystallinity which signifies the growth catalytic effect of zinc ions. XRD was used to examine numerous microstructural parameters, including crystallite size, lattice constant, and x-ray density. FTIR investigation revealed the formation of a spinel structure in the ferrite systems. The presence of Zinc ions, which function as a catalyst for particle growth, explains why particle size increases as Zn content increases. SEM pictures show patchy and irregularly scattered grains, ranging in size from 1.409 μm to 3.300 μm with increasing Zn content. The magnetization curves exhibited low coercivity (Hc), indicating that our material is soft magnetic ferrite. Coercivity values are unpredictable due to zinc’s large ionic radii, which favor the creation of a regular spinel structure over a mixed spinel of nanocrystalline manganese ferrite, resulting in magnetic energy loss. The hardness decreased with increasing indentation time, but the average hardness values increased from 435.0 to 845.1 MPa as the zinc content of the matrix increased leads to the improve of abrasive capacity of our samples. The sample x = 0.4 exhibits high creep resistance.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"653 ","pages":"Article 128073"},"PeriodicalIF":1.7,"publicationDate":"2025-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143093135","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Kinetic Monte Carlo study on the island shape evolution of the SiC crystal during the sub-monolayer nucleation growth

IF 1.7 4区材料科学 Q3 CRYSTALLOGRAPHY

Journal of Crystal Growth

Pub Date : 2025-01-19 DOI: 10.1016/j.jcrysgro.2025.128075

Wensen Ai , Hao Chen , Xuejiang Chen , Yuan Li , Zhuorui Tang , Chaobin Mao

SiC crystal is a key material in the improvement of the efficiency of power and electronic devices. A controllable growth of SiC crystal epitaxial layer with lower defect density and higher efficiency is still a common goal for the industries. In this paper, an improved kinetic Monte Carlo algorithm is established to investigate the effect of temperature and partial flux on the shape evolution of SiC (0001) islands. The simulation morphologies are consistent with the previous experimental observation that the clusters with triangular shape are grown at lower temperature and regular hexagonal SiC domains are obtained at higher temperature. In addition, at lower temperature, triangles with opposite directions are formed, and a reversible shape transformation occurs due to the competition between kinetic and thermodynamic effect. In contrast, the shape of island tends to evolve to the most stable one at higher temperature. For the cases under different partial flux, the triangular flakes with opposite orientations are obtained. Finally, we speculate that the coexistence of triangular islands with opposite direction might be achieved under a comparable kinetic and thermodynamic effect or a local misbalance of constituent elements circumference.

{"title":"Kinetic Monte Carlo study on the island shape evolution of the SiC crystal during the sub-monolayer nucleation growth","authors":"Wensen Ai , Hao Chen , Xuejiang Chen , Yuan Li , Zhuorui Tang , Chaobin Mao","doi":"10.1016/j.jcrysgro.2025.128075","DOIUrl":"10.1016/j.jcrysgro.2025.128075","url":null,"abstract":"<div><div>SiC crystal is a key material in the improvement of the efficiency of power and electronic devices. A controllable growth of SiC crystal epitaxial layer with lower defect density and higher efficiency is still a common goal for the industries. In this paper, an improved kinetic Monte Carlo algorithm is established to investigate the effect of temperature and partial flux on the shape evolution of SiC (0001) islands. The simulation morphologies are consistent with the previous experimental observation that the clusters with triangular shape are grown at lower temperature and regular hexagonal SiC domains are obtained at higher temperature. In addition, at lower temperature, triangles with opposite directions are formed, and a reversible shape transformation occurs due to the competition between kinetic and thermodynamic effect. In contrast, the shape of island tends to evolve to the most stable one at higher temperature. For the cases under different partial flux, the triangular flakes with opposite orientations are obtained. Finally, we speculate that the coexistence of triangular islands with opposite direction might be achieved under a comparable kinetic and thermodynamic effect or a local misbalance of constituent elements circumference.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"654 ","pages":"Article 128075"},"PeriodicalIF":1.7,"publicationDate":"2025-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143136466","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Growth of brucite (Mg(OH)2) on portlandite (Ca(OH)2)

IF 1.7 4区材料科学 Q3 CRYSTALLOGRAPHY

Journal of Crystal Growth

Pub Date : 2025-01-18 DOI: 10.1016/j.jcrysgro.2025.128071

I. Galan , C. Baumann , M. Sakoparnig , C. Grengg , M. Dietzel

The potential protective effect of brucite (Mg(OH)₂) grown on portlandite (Ca(OH)₂) was analysed. Single crystals of portlandite were synthesized and exposed to Mg²⁺-containing solutions and the influence of the central parameters was analysed: (i) magnesium ion source (MgCl₂ and MgSO₄) (ii) initial Mg²⁺ concentration (0.01–1 mol/l), (iii) crystal surface to solution volume ratio, and (iv) duration of experiment. Solids and solutions were characterised by means of FTIR, ICP-OES, pH measurements, SEM and EPMA. Additionally, thermodynamic calculations were performed. The results showed that the morphology and thickness and thus the protective properties of the brucite layer were conditioned by the Mg²⁺ and Ca²⁺ concentration in the solution. Brucite layers grown during exposure to higher initial Mg²⁺ concentration were denser and thinner, offering better protection against further dissolution. In MgCl₂ solutions, the precipitation of a compact brucite layer was accompanied by the formation of an empty cavity between brucite and portlandite. In MgSO₄ solutions the space between brucite and portlandite was filled with gypsum as saturation conditions were reached providing extra protection but also leading to potential crack formation in the brucite layer.

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全部化学•材料生命科学医学物理工程技术环境•农林材料科学地球科学法学管理学化学环境科学与生态学计算机科学教育学经济学农林科学人文科学生物学数学物理与天体物理心理学综合性期刊其他工业工程理学历史学农学文学信息工程

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