CrystEngComm最新文献_第7页

Bubble distribution in shaped sapphire grown from molybdenum crucibles using the micro-pulling down technique 用微拉下法研究钼坩埚生长成形蓝宝石中的气泡分布

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-12-24 DOI: 10.1039/D4CE01077A

Laura Wollesen, Abdeldjelil Nehari, Serge Labor, Guillaume Alombert-Goget, Denis Guignier and Kheirreddine Lebbou

引用次数: 0

Recent progress of metal–organic framework materials with a benzothiadiazole unit for fluorescence sensing

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-12-23 DOI: 10.1039/D4CE01172D

Zhi-Yuan Li, Teng-Fei Zheng, He-Rui Wen and Sui-Jun Liu

引用次数: 0

Recent advances in molecular mechanisms of gas hydrate growth 天然气水合物生长的分子机制研究进展

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-12-23 DOI: 10.1039/D4CE01149J

Yue Zhao, Min He, Yitong Du and Zhengcai Zhang

{"title":"Recent advances in molecular mechanisms of gas hydrate growth","authors":"Yue Zhao, Min He, Yitong Du and Zhengcai Zhang","doi":"10.1039/D4CE01149J","DOIUrl":"https://doi.org/10.1039/D4CE01149J","url":null,"abstract":"As crystalline solids formed from water and gas molecules, gas hydrates have drawn considerable attention not only because of their wide distribution as potential energy resources, but also because they have great industrial application prospects. How to efficiently generate stable gas hydrates or inhibit hydrate formation is a crucial scientific challenge encountered in hydrate utilization and the oil and gas industry. Understanding the molecular mechanism of gas hydrate formation is essential to address these issues. Molecular simulation plays a superior role in elucidating molecular details compared to experiments due to its high temporal and spatial resolution. This highlight article provides an overview of the current state of the art for molecular mechanisms of gas hydrate growth. Firstly, the gas hydrate growth process and the related molecular mechanisms are discussed to gain insight into the controlling mechanism of gas hydrate growth. This is followed by a description of the performance of thermodynamic or kinetic promoters in hydrate growth and their underlying mechanism. Subsequently, the impact of thermodynamic or kinetic inhibitors on hydrate growth is then discussed. Finally, the challenges, limitations, and future opportunities for the study of gas hydrate growth are discussed.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 4","pages":" 456-467"},"PeriodicalIF":2.6,"publicationDate":"2024-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142994055","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

A novel approach for enhanced hydrothermal synthesis of α-calcium sulfate hemihydrate crystals from phosphogypsum by microwave irradiation

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-12-23 DOI: 10.1039/D4CE00970C

Weifan Du and Xianbo Li

{"title":"A novel approach for enhanced hydrothermal synthesis of α-calcium sulfate hemihydrate crystals from phosphogypsum by microwave irradiation","authors":"Weifan Du and Xianbo Li","doi":"10.1039/D4CE00970C","DOIUrl":"https://doi.org/10.1039/D4CE00970C","url":null,"abstract":"Microwave radiation is a clean heating technology, which was utilized for efficient synthesis of high-value α-calcium sulfate hemihydrate (α-CSH) from phosphogypsum waste in salt solution. The conversion efficiency of phosphogypsum into α-CSH was compared with traditional electric heating, and the enhanced mechanism of microwave irradiation was explained. The results indicate that needle-shaped α-CSH crystals were synthesized in CaCl2 solution without modifiers by microwave radiation. The crystal morphology of α-CSH was controlled by adding citric acid monohydrate (CAM), but the modifier could inhibit the transformation of phosphogypsum. Short columnar α-CSH crystals with an aspect ratio of 1 : 1 were synthesized in 2.47 mol L−1 CaCl2 and 8.17 × 10−3 mol L−1 CAM solution within 210 min by microwave radiation, but phosphogypsum can not be transformed into α-CSH by electric heating under the same conditions. Phosphogypsum and CaCl2 solution have high dielectric constants, hence the reaction slurry exhibits excellent microwave-absorbing properties, which could enhance the dissolution of phosphogypsum and crystallization into α-CSH. Compared with other heating methods, microwave radiation has an obvious advantage in shortening the reaction time. Consequently, microwave radiation is considered as an efficient synthesis method for α-CSH crystals.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 5","pages":" 668-677"},"PeriodicalIF":2.6,"publicationDate":"2024-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143107367","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Single crystal growth, characterization, piezoelectric properties, and spectral analysis for Zn4B6O13 and Ni:Zn4B6O13 crystals

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-12-19 DOI: 10.1039/D4CE00917G

Jipeng Wu, Nianlong Zhang, Hengyuan Zhang, Feifei Chen, Li Sun, Xiufeng Cheng and Xian Zhao

{"title":"Single crystal growth, characterization, piezoelectric properties, and spectral analysis for Zn4B6O13 and Ni:Zn4B6O13 crystals","authors":"Jipeng Wu, Nianlong Zhang, Hengyuan Zhang, Feifei Chen, Li Sun, Xiufeng Cheng and Xian Zhao","doi":"10.1039/D4CE00917G","DOIUrl":"https://doi.org/10.1039/D4CE00917G","url":null,"abstract":"Borate crystal Zn4B6O13 (ZBO) exhibits excellent optical properties and exceptional thermal stability. In this study, large-sized ZBO and Ni-doped ZBO (Ni:ZBO) single crystals were grown using the Kyropoulos method, and their structural, thermal, electro-elastic, and optical properties were comprehensively investigated. Ni2+ doping substituted Zn2+ without altering the cubic crystal structure, slightly increasing the thermal expansion coefficient to 5.72 ± 0.08 × 10− 6 K−1 in the temperature range of 25–670 °C while maintaining a remarkably low value compared to most laser crystals. Ni:ZBO displayed enhanced piezoelectric performance (d14 = 1.49 pC N−1 at room temperature), ∼21% higher than ZBO, and retained a high degree of temperature stability. Optical analysis showed high transmittance from 241 nm to the mid-infrared range and characteristic absorption peaks. Additionally, strong short-wavelength emission at 440 nm was observed in the Ni:ZBO crystal, indicating its potential as a high-quality gain medium for blue-violet laser generation. These findings underscore the promise of Ni:ZBO as a material suitable for high-temperature piezoelectric and laser crystal applications.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 5","pages":" 616-624"},"PeriodicalIF":2.6,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143107347","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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-responsivity β-Ga2O3/GaN heterojunction UV photodetectors with tunable multi-band detection capability† 具有可调谐多波段探测能力的高响应β-Ga2O3/GaN异质结紫外光电探测器†

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-12-19 DOI: 10.1039/D4CE01101E

Yang Nan, Chenxing Liu, Hongchao Zhai, Siyu Wu, Zhengyuan Wu, Pengfei Tian, Daoyou Guo, Weihua Tang and Zhilai Fang

{"title":"High-responsivity β-Ga2O3/GaN heterojunction UV photodetectors with tunable multi-band detection capability†","authors":"Yang Nan, Chenxing Liu, Hongchao Zhai, Siyu Wu, Zhengyuan Wu, Pengfei Tian, Daoyou Guo, Weihua Tang and Zhilai Fang","doi":"10.1039/D4CE01101E","DOIUrl":"https://doi.org/10.1039/D4CE01101E","url":null,"abstract":"The detection of ultraviolet (UV) radiation is of paramount importance, and has expanding applications in industrial, scientific, environmental, and biomedical fields. Using heterojunctions to fabricate UV photodetectors (PDs) is an effective approach for achieving multi-band detection. This study reports on high-responsivity β-Ga2O3/GaN heterojunction UV PDs, featuring tunable multi-band detection capabilities. The as-fabricated PDs demonstrate an exceptional photoresponsivity of 91.2 mA W−1 under 250 nm illumination at zero bias. Furthermore, the spectral response of the Ga2O3/GaN heterojunction PDs can be precisely modulated by varying the applied bias voltage, facilitating distinct UVC-dominated and broadband UVA/UVC detection modes with enhanced detectivity. The underlying mechanism responsible for the tunable spectral responses is elucidated. This research not only introduces a straightforward and practical approach for developing multi-band UV PDs regulated by bias voltage, but also provides a comprehensive understanding of the physical mechanisms driving the photoelectric response. These advancements address the increasing demand for UV PDs, and provide guidance for the optimization of device performance and the discussion of intrinsic physical mechanisms in this field.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 4","pages":" 538-546"},"PeriodicalIF":2.6,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142994070","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Properties of the ADN/ANTA cocrystal based on theoretical simulation 基于理论模拟的ADN/ANTA共晶性能

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-12-18 DOI: 10.1039/D4CE01095G

Zhihong Yu, Liang Zhou, Wenlian Peng, Zhihua Zhuang, Hanqing Xu, Jinyan He, Hao Chen, Pengcheng Zhang and Xinggao Zhang

{"title":"Properties of the ADN/ANTA cocrystal based on theoretical simulation","authors":"Zhihong Yu, Liang Zhou, Wenlian Peng, Zhihua Zhuang, Hanqing Xu, Jinyan He, Hao Chen, Pengcheng Zhang and Xinggao Zhang","doi":"10.1039/D4CE01095G","DOIUrl":"https://doi.org/10.1039/D4CE01095G","url":null,"abstract":"Ammonium dinitramide (ADN) is highly hygroscopic which poses significant challenges in its practical applications. Consequently, mitigating this hygroscopic nature has been a primary focus in the research and development of ADN. This study investigated the properties of the ADN/3-amino-5-nitro-1,2,4-triazole (ANTA) cocrystal using density functional theory, molecular dynamics, and Monte Carlo methods. The research involved analyzing binding energies, radial distribution functions, and molecular interaction energies, predicting the crystallographic properties of the cocrystal, and theoretically assessing the hygroscopicity of ADN, stability and detonation properties. The results indicated that the cocrystal achieved relative stability at a 1 : 1 molar ratio of ADN to ANTA, driven by favorable conditions for cocrystal formation. The primary forces facilitating this cocrystal formation were hydrogen bonds and van der Waals interactions. The predicted space group for the cocrystal was P<img>, with a calculated crystal density of 1.8353 g cm−3. Additionally, the cocrystal demonstrated a calculated saturated moisture absorption rate of 3.67%, which contrasted significantly with the 18.12% absorption rate observed for pure ADN. The cohesive energy density and trigger bond length indicated that the stability of the ADN/ANTA cocrystal was higher than that of ADN. Theoretical calculations indicated that the detonation performance of the cocrystal is close to that of the pure component ADN, suggesting that the ADN/ANTA cocrystal is a new type of high-energy material with low hygroscopicity.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 3","pages":" 421-432"},"PeriodicalIF":2.6,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142962907","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Achieving cuprous iodide hybrid materials with long luminescence lifetimes and high internal quantum yields via aggregation-induced emission†

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-12-17 DOI: 10.1039/D4CE00898G

Zhen-Dong Xue, Yi Zhang, Hao-Yu Zhu, Juan-Juan Shao, Qiang Gao and Fang-Ming Wang

引用次数: 0

Tetraphenylethylene-based blue light-emitting organic salt crystals†

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-12-17 DOI: 10.1039/D4CE01094A

Huifen Hu, Yukun Yan, Chengling Yang and Wei Wang

引用次数: 0

Combining X-ray and NMR crystallography to explore the structural disorder in racemic propranolol hydrochloride† 结合x射线和核磁共振晶体学研究外消旋普萘洛尔†的结构紊乱