Crystal Growth & Design最新文献_第7页

Optimizing In Situ Tuning of Upconversion Photoluminescence Properties in PMNT Single Crystal via Structure Modulation and Sensitizer Doping 通过结构调制和敏化剂掺杂优化PMNT单晶上转换光致发光特性的原位调谐

IF 3.4 2区化学

Crystal Growth & Design Pub Date : 2025-09-02 DOI: 10.1021/acs.cgd.5c00943

Bin Su, Zujian Wang, Rongbing Su and Chao He*,

引用次数: 0

Toward Predicting Nucleation Difficulty of Organic Compounds Crystallized from Different Solvents 预测不同溶剂结晶有机化合物的成核难度

IF 3.4 2区化学

Crystal Growth & Design Pub Date : 2025-09-02 DOI: 10.1021/acs.cgd.5c00176

Jacek Zeglinski*, Emilia Jakubowska, Tomasz Koczorowski, Marko Ukrainczyk, Brendan Roche, Gary Morris, Barbara Wood and Brian Glennon*,

{"title":"Toward Predicting Nucleation Difficulty of Organic Compounds Crystallized from Different Solvents","authors":"Jacek Zeglinski*, Emilia Jakubowska, Tomasz Koczorowski, Marko Ukrainczyk, Brendan Roche, Gary Morris, Barbara Wood and Brian Glennon*, ","doi":"10.1021/acs.cgd.5c00176","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00176","url":null,"abstract":"A relationship between the nucleation difficulty and solvent–solute interaction strength has been reported in recent years for various organic molecules, strongly suggesting that the desolvation of a solute molecule is one of the key factors governing crystal nucleation kinetics. We demonstrate for the first time that activity coefficients (computed with a COSMO-RS thermodynamic model) can be used to estimate the strength of the solvent–solute interaction in solution to serve as in silico descriptors, enabling prediction of the relative nucleation ease/difficulty of a solute crystallized out of a set of different solvents. In this work, we provide an experimental validation of the above hypothesis. The validation study encompasses drug-like organic solute molecules of different polarities: menadione, propyl paraben, and paracetamol, along with solvents typically used in pharmaceutical process development. In line with our hypothesis, the experimental order of nucleation difficulty established using two orthogonal methods, induction time experiments and metastable zone width determination, was found to correlate with the order of activity coefficients calculated for the respective systems. In contrast to current computational approaches that require both specialized knowledge and supercomputing capabilities, the proposed predictive model can be easily employed by crystallization practitioners in industry to quickly assess a broad range of solvent possibilities to select the most suitable solvent candidates for experimental interrogation.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 18","pages":"7396–7409"},"PeriodicalIF":3.4,"publicationDate":"2025-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145094516","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}

引用次数: 0

Effect of SiO2 and Post-Annealed Ga2O3 Buffer Layers on Ga2O3 Thin Film Growth and Properties SiO2和退火后Ga2O3缓冲层对Ga2O3薄膜生长和性能的影响

IF 3.4 2区化学

Crystal Growth & Design Pub Date : 2025-09-01 DOI: 10.1021/acs.cgd.5c01075

Noiba U. Botirova*, Azamat O. Arslanov, Gofur B. Eshonkulov, Jamoliddin X. Murodov, Ra’no Sh. Sharipova, Javohir Sh. Khudoykulov and Shavkat U. Yuldashev,

{"title":"Effect of SiO2 and Post-Annealed Ga2O3 Buffer Layers on Ga2O3 Thin Film Growth and Properties","authors":"Noiba U. Botirova*, Azamat O. Arslanov, Gofur B. Eshonkulov, Jamoliddin X. Murodov, Ra’no Sh. Sharipova, Javohir Sh. Khudoykulov and Shavkat U. Yuldashev, ","doi":"10.1021/acs.cgd.5c01075","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c01075","url":null,"abstract":"This study explores the impact of SiO2 and β-Ga2O3 buffer layers on the synthesis and properties of β-Ga2O3 thin films deposited on n-type Si (100) substrates via sol–gel spin coating. Structural, morphological, and optical properties were characterized using X-ray diffraction, scanning electron microscopy, and UV–vis spectroscopy. Films on β-Ga2O3 buffers exhibit significantly enhanced crystallinity, reduced lattice strain, and lower defect density compared to SiO2/Si and direct Si substrates. Morphological analysis reveals well-defined, coalesced grains, while optical measurements indicate an improved bandgap, reflecting superior film quality. These findings underscore the efficacy of β-Ga2O3 buffers in mitigating lattice mismatch, advancing the development of high-quality β-Ga2O3 films for high-power electronics and UV optoelectronic applications.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 18","pages":"7828–7833"},"PeriodicalIF":3.4,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145094238","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}

引用次数: 0

Proton-Exchange Effect of Rb4Ta6O17 Crystal on Nitridation Efficiency to Ta3N5 Rb4Ta6O17晶体的质子交换对Ta3N5氮化效率的影响

IF 3.4 2区化学

Crystal Growth & Design Pub Date : 2025-09-01 DOI: 10.1021/acs.cgd.4c01477

Tetsuya Yamada, Kouhei Machida, Hiroh Miyagawa, Yingjie Chen, Fumitaka Hayashi, Michihisa Koyama and Katsuya Teshima*,

{"title":"Proton-Exchange Effect of Rb4Ta6O17 Crystal on Nitridation Efficiency to Ta3N5","authors":"Tetsuya Yamada, Kouhei Machida, Hiroh Miyagawa, Yingjie Chen, Fumitaka Hayashi, Michihisa Koyama and Katsuya Teshima*, ","doi":"10.1021/acs.cgd.4c01477","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c01477","url":null,"abstract":"(Oxy)nitrides are photocatalysts that can split water under visible-light irradiation. Thus, Ta3N5 is a promising photocatalyst for water splitting. Ta3N5 is typically produced by the nitridation of oxides. However, complete nitridation requires time, and even if it is achieved, the photocatalytic performance is lower than that of a mixture nitrided in the middle. A reason for this is the long-term nitridation, which may induce stepwise nitridation from the surface to the core of the reactant, resulting in overnitridation of the surface composition. To solve this problem, we hypothesized that interlayer interactions in layered oxides affect the nitridation efficiency. This study aimed to verify the role of interlayer interactions in the nitridation of oxides. We demonstrated proton-exchange in Rb4Ta6O17·nH2O (RTO) as a model material and its nitridation to Ta3N5. Consequently, proton-exchange could improve the nitridation efficiency by a factor of 7 compared to nonproton-exchanged RTO. Experimental and theoretical reaction analyses revealed that this improvement was achieved by a change in the reaction pathway and the subsequent structural relaxation of RTO derived from proton exchange. These findings provide new guidelines for developing fast nitridation protocols using ion-exchanged layered oxides.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 18","pages":"7374–7383"},"PeriodicalIF":3.4,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145094338","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}

引用次数: 0

High Single-Crystal Conversion of [110]-Oriented Pb(Mg1/3Nb2/3)O3-0.37PbTiO3 Single Crystal Grown by Solid-State Crystal Growth Method 固态晶体生长法生长[110]取向Pb(Mg1/3Nb2/3)O3-0.37PbTiO3单晶的高单晶转化率

IF 3.4 2区化学

Crystal Growth & Design Pub Date : 2025-09-01 DOI: 10.1021/acs.cgd.5c00934

Xueliang Duan, Yuantai Guo, Honghui Wang, Ming Ma, Song Xia and Zhenrong Li*,

{"title":"High Single-Crystal Conversion of [110]-Oriented Pb(Mg1/3Nb2/3)O3-0.37PbTiO3 Single Crystal Grown by Solid-State Crystal Growth Method","authors":"Xueliang Duan, Yuantai Guo, Honghui Wang, Ming Ma, Song Xia and Zhenrong Li*, ","doi":"10.1021/acs.cgd.5c00934","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00934","url":null,"abstract":"The solid-state crystal growth (SSCG) method possesses significant advantages in the field of crystal growth due to its low cost, straightforward process, and uniform composition of the as-grown single crystals. However, the limited size of single crystals grown by using the SSCG method restricts its broader application. In this work, the strategy of changing the seed crystal cutting pattern to improve the conversion rate of single crystal growth was proposed, and 0.63Pb(Mg1/3Nb2/3)O3-0.37PbTiO3 (PMN-0.37PT) single crystals were successfully grown by the SSCG method. According to the basic principles of the Kossel–Stranski theory, the growth models of seed crystals obtained by two different seed crystal cutting methods were established and the growth process of single crystals was theoretically analyzed. The experimental results are in agreement with the theoretical analyses, and the single crystals grown by the improved seed crystal cutting method on the same thickness matrix are larger in size. The corresponding conversion rates were also calculated, and the conversion rate corresponding to the largest single crystal grown using the improved seed crystal cutting method increased by 47%. The conversion rates of single crystals are improved by changing the cutting method without altering the size of the seed crystals. It provides a new research direction for obtaining large-size single crystals by the SSCG method.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 18","pages":"7745–7751"},"PeriodicalIF":3.4,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145094499","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}

引用次数: 0

Fluorescent Sensor Based on Stable Cd(II) Metal–Organic Framework for Rapid and Visual Detection of Tetracycline Antibiotics in Water 基于稳定Cd（II）金属-有机骨架的荧光传感器用于水中四环素类抗生素的快速视觉检测

IF 3.4 2区化学

Crystal Growth & Design Pub Date : 2025-09-01 DOI: 10.1021/acs.cgd.5c00597

Wenqiu Qi, Ziqing Zhang, Yunfang Zhao, Yangxingyu Ye, Lian Chen*, Feilong Jiang and Maochun Hong*,

{"title":"Fluorescent Sensor Based on Stable Cd(II) Metal–Organic Framework for Rapid and Visual Detection of Tetracycline Antibiotics in Water","authors":"Wenqiu Qi, Ziqing Zhang, Yunfang Zhao, Yangxingyu Ye, Lian Chen*, Feilong Jiang and Maochun Hong*, ","doi":"10.1021/acs.cgd.5c00597","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00597","url":null,"abstract":"Antibiotics, widely used in the fields of medicine, animal husbandry, aquaculture, and agriculture, are ubiquitously present in water systems, posing a serious threat to the environment and human health. It is essential to develop a fast, sensitive, and straightforward analytical method for sensing antibiotics in aqueous solution. In this work, a 3D luminescent metal–organic framework (MOF), named Cd-BTDI, has been synthesized, featuring high structural stability in water. Its intense green luminescence with an emission peak at 509 nm is quite stable in aqueous and common organic solvents, providing a good foundation to fabricate a potential chemical sensor. Cd-BTDI exhibits selective and sensitive detection performance for tetracycline (TC) and oxytetracycline (OTC) antibiotics with fast response and good anti-interference. The limits of detection (LODs) for TC and OTC are 0.071 and 0.062 μΜ, respectively. By introducing the commercially available polymer poly(methyl methacrylate), a reusable sensing film can be fabricated for the on-site visual detection of trace tetracycline antibiotics. In addition, Cd-BTDI can detect tetracycline antibiotics in three kinds of typical real water matrices (tap, lake, and river water), showing great potential for practical uses.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 18","pages":"7504–7511"},"PeriodicalIF":3.4,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145094493","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}

引用次数: 0

Design, Synthesis, and Characterization of Novel, Nitrogen-Rich Fused Energetic Materials with High Energy, Low Sensitivity, and Thermal Stability 具有高能量、低灵敏度和热稳定性的新型富氮熔融能材料的设计、合成和表征

IF 3.4 2区化学

Crystal Growth & Design Pub Date : 2025-09-01 DOI: 10.1021/acs.cgd.5c00812

Xue Hao, Yongbin Zou, Huaqi Zhang, Guoran Cao, Ruijun Wang, Cheng Wang, Zhen Dong* and Zhiwen Ye*,

{"title":"Design, Synthesis, and Characterization of Novel, Nitrogen-Rich Fused Energetic Materials with High Energy, Low Sensitivity, and Thermal Stability","authors":"Xue Hao, Yongbin Zou, Huaqi Zhang, Guoran Cao, Ruijun Wang, Cheng Wang, Zhen Dong* and Zhiwen Ye*, ","doi":"10.1021/acs.cgd.5c00812","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00812","url":null,"abstract":"The development of high-energy yet low-sensitivity energetic materials is crucial for advancing next-generation energetic compounds with enhanced safety and performance. In this study, we report the design, synthesis, and comprehensive characterization of a novel class of nitrogen-fused tetrazole-based energetic compounds. These compounds were fully characterized using multinuclear nuclear magnetic resonance (NMR) spectroscopy, infrared (IR) spectroscopy, and elemental analysis, with their structures further confirmed by single-crystal X-ray diffraction. The resulting fused-ring energetic materials exhibit a well-balanced combination of thermal stability, detonation performance, and mechanical insensitivity. Notably, compounds 2, 5, and 6 demonstrate outstanding thermal stability (Td ≈ 300 °C) while maintaining excellent detonation properties (Dv > 8000 m s–1, P > 20 GPa). Compound 7 exhibits superior thermal stability (Td = 331 °C), though its detonation performance is slightly lower, warranting further optimization. Additionally, compound 8 displays good thermal stability and detonation performance (Td = 197 °C, Dv = 8108 m s–1, P = 25.1 GPa). Importantly, all synthesized compounds exhibit significantly lower impact and friction sensitivities compared to RDX (IS > 7.5 J, FS > 120 N). These findings underscore the potential of nitrogen-rich fused-ring systems as promising candidates for high-energy, thermally stable, and insensitive energetic materials. This work provides valuable insights into the molecular design strategies for next-generation energetic materials with optimized performance and safety.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 18","pages":"7648–7654"},"PeriodicalIF":3.4,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145094497","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}

引用次数: 0

Novel Zinc Metal–Organic Framework for Catalytic CO2 Conversion to Cyclic Carbonates under Solvent-free and Mild Conditions 新型锌金属-有机骨架在无溶剂和温和条件下催化CO2转化为环碳酸盐

IF 3.4 2区化学

Crystal Growth & Design Pub Date : 2025-09-01 DOI: 10.1021/acs.cgd.5c00763

Wangfu Xu, Xiaohan Qin, Gui Xiong, Qiu-Hong Cheng, Xiang-Yu Zhang and Kun Huang*,

{"title":"Novel Zinc Metal–Organic Framework for Catalytic CO2 Conversion to Cyclic Carbonates under Solvent-free and Mild Conditions","authors":"Wangfu Xu, Xiaohan Qin, Gui Xiong, Qiu-Hong Cheng, Xiang-Yu Zhang and Kun Huang*, ","doi":"10.1021/acs.cgd.5c00763","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00763","url":null,"abstract":"Metal–organic frameworks (MOFs) exhibit wide applications in catalytic CO2 conversion to high-value-added chemicals. In this work, we prepared a new MOF {Zn(Bibt)(nia2–)}n, namely Zn-BN, based on the self-assembly of 4,7-bis(1H-imidazol-1-yl) benzo-[2,1,3]thiadiazole (Bibt), 5-(1,8-naphthalimido)-isophthalic acid (H2nia), and Zn(NO3)2·6H2O under hydrothermal conditions. Zn-BN presents as a 4-connected porous framework with an {86} point symbol, exhibiting good thermal and solvent stability as well as a broad range of pH durability. Then, Zn-BN is applied to catalyze the coupling reaction of CO2 with various epoxides. The results show that Zn-BN can serve as a heterogeneous and efficient catalyst to promote the conversion of CO2 to cyclic carbonates in yields of 48–98% at atmospheric CO2 pressure, 60 °C temperature, and 18 h reaction time, which can be mainly attributed to the synergistic activation effect by Zn nodes in the framework and Br– anions. Additionally, the Zn-BN can be reused up to 5 times, demonstrating good recyclability.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 18","pages":"7601–7607"},"PeriodicalIF":3.4,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145094240","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}

引用次数: 0

Controlling the Integrated Performance of High-Energy Salts through a Hydroxyl Group Modulation Strategy 通过羟基调制策略控制高能盐的综合性能

IF 3.4 2区化学

Crystal Growth & Design Pub Date : 2025-09-01 DOI: 10.1021/acs.cgd.5c00194

Dengpeng Zhao, Yilin Yin, Qing Ma, Qianxiong Chen, Bao Zhang, Keyao Li, Zhineng Wang, Suming Jing* and Wei Yang*,

引用次数: 0

Study on the Morphology and Luminescence Properties of InGaAs/GaAs Heterojunction Nanowires under Synergistic Regulation of V/III Ratio and Growth Time V/III比和生长时间协同调控下InGaAs/GaAs异质结纳米线的形貌和发光特性研究

IF 3.4 2区化学

Crystal Growth & Design Pub Date : 2025-09-01 DOI: 10.1021/acs.cgd.5c01088

Yu Fu, Haizhu Wang*, Miao Yan, Yue Li, Xin Zhao and Dengkui Wang,

{"title":"Study on the Morphology and Luminescence Properties of InGaAs/GaAs Heterojunction Nanowires under Synergistic Regulation of V/III Ratio and Growth Time","authors":"Yu Fu, Haizhu Wang*, Miao Yan, Yue Li, Xin Zhao and Dengkui Wang, ","doi":"10.1021/acs.cgd.5c01088","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c01088","url":null,"abstract":"The InGaAs/GaAs heterojunction nanowires on GaAs (111B) substrates were successfully fabricated using the metal–organic chemical vapor deposition (MOCVD) technique, which is based on the vapor–liquid–solid (VLS) growth mechanism. The synergistic effects of these parameters on the morphology and luminescence properties of the InGaAs/GaAs heterojunction nanowires were revealed by systematically adjusting the V/III ratio (ranging from 40 to 80) and the growth time (from 600 to 900 s). When the V/III ratio reached 60, an optimal synergistic effect was observed, resulting in uniform columnar nanowires. Additionally, the luminescence intensity was significantly enhanced when the growth duration was extended to 900 s. Systematic theoretical and experimental studies were performed upon the luminescence mechanism, which primarily arises from radiative recombination, with the peak position exhibiting a redshift as growth time increases, and the dynamics of carrier recombination were further analyzed. The results revealed that the enhancement in the uniformity of the indium (In) content distribution was a crucial factor in improving luminescence performance. A synergistic control model that links the V/III ratio and growth time was presented, providing fundamental guidance for optimizing fabrication processes in advanced infrared detectors and quantum communication systems. Consequently, this research advances the practical application of III–V nanowire optoelectronic devices.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 18","pages":"7845–7851"},"PeriodicalIF":3.4,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145094337","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}

引用次数: 0