Crystal Growth & Design最新文献_第2页

Perfect Separation of n-Pentane and Iso-pentane by Nonporous Adaptive Crystals of Perethylated Pillar[5]arene 利用过乙基支柱[5]炔的无孔自适应晶体完美分离正戊烷和异戊烷

IF 3.8 2区化学

Crystal Growth & Design Pub Date : 2024-09-16 DOI: 10.1021/acs.cgd.4c00977

Jingyu Chen, Xinkai Liang, Chunlong Pan, Minghao Liang, Wenzhi Yang, Sha Wu, Haoze Zhu, Jiong Zhou

引用次数: 0

Molecular Beam Epitaxial Growth and Characterization of Nanoscale ScGaN 纳米级 ScGaN 的分子束外延生长与表征

IF 3.8 2区化学

Crystal Growth & Design Pub Date : 2024-09-15 DOI: 10.1021/acs.cgd.4c00814

Mohammad Fazel Vafadar, Milad Fathabadi, Songrui Zhao

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Hydrogen-Bonded Frameworks Assembled Using Amidinium···Phosphonate and Phosphonate···Phosphonate Interactions 利用脒-膦酸盐和膦酸盐-膦酸盐相互作用组装的氢键框架

IF 3.8 2区化学

Crystal Growth & Design Pub Date : 2024-09-13 DOI: 10.1021/acs.cgd.4c01070

Phonlakrit Muang-Non, Nicholas G. White

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Bent-Shaped Twin Boundary in β-Ga2O3 Crystals β-Ga2O3晶体中的弯形双边界

IF 3.8 2区化学

Crystal Growth & Design Pub Date : 2024-09-13 DOI: 10.1021/acs.cgd.4c00875

Pei Wang, Jiatong Fan, Yimin Lei, Tong Hou, Yue Dong, Yang Li, Zhitai Jia, Xutang Tao, Wenxiang Mu

{"title":"Bent-Shaped Twin Boundary in β-Ga2O3 Crystals","authors":"Pei Wang, Jiatong Fan, Yimin Lei, Tong Hou, Yue Dong, Yang Li, Zhitai Jia, Xutang Tao, Wenxiang Mu","doi":"10.1021/acs.cgd.4c00875","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c00875","url":null,"abstract":"Twin boundary (TB) as a two-dimensional defect will constrain the size of the crystal material, reduce the yield of single crystals, and affect the performance of subsequent devices. For β-Ga2O3, it is one of the most promising ultrawide-band-gap semiconductor materials, which is severely limited by the twinning problem. In this paper, the unpenetrated twin structure with bent-shaped TB in the β-Ga2O3 bulk crystal was found and discussed in detail. The orientation difference and microstructure on the atomic scale of the bent-shaped TB in β-Ga2O3 have been intensively investigated from the (010) and (100) orientations using electron backscatter diffraction (EBSD) and spherical aberration-corrected scanning transmission electron microscopy (AC-STEM) imaging techniques. The results indicate that the bent-shaped TB is 180° TB, formed by the combination of incoherent TB (ITB) and (100)-coherent TB (CTB). The ITB can be further represented as a combination of (1̅02)-CTB and (100)-CTB. The formation mechanism of the bent-shaped TB in β-Ga2O3 is elucidated based on the TB formation energy (ETB) and crystal growth kinetics. This study reveals the microstructure and formation mechanism of bent-shaped TB and enriches the work on crystal defects in β-Ga2O3.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142250748","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-Efficiency Doping Outcomes in Homoepitaxial β-Ga2O3 Films via Pulsed Si Doping with MOCVD 通过脉冲硅掺杂与 MOCVD 在同位β-Ga2O3 薄膜中实现高效掺杂结果

IF 3.8 2区化学

Crystal Growth & Design Pub Date : 2024-09-13 DOI: 10.1021/acs.cgd.4c01049

Yao Wang, Qian Feng, Wenkai Wu, Yuhong Liu, Yachao Zhang, Jincheng Zhang, Yue Hao

{"title":"High-Efficiency Doping Outcomes in Homoepitaxial β-Ga2O3 Films via Pulsed Si Doping with MOCVD","authors":"Yao Wang, Qian Feng, Wenkai Wu, Yuhong Liu, Yachao Zhang, Jincheng Zhang, Yue Hao","doi":"10.1021/acs.cgd.4c01049","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c01049","url":null,"abstract":"Using metal–organic chemical vapor deposition, pulsed Si-doped homoepitaxial gallium oxide (β-Ga2O3) films were deposited on (010) β-Ga2O3 substrates. The impact of the Si pulse duty cycle on the morphology, structure, and electrical properties of the films was investigated. The full width at half-maximum (fwhm) of the (020) rocking curves for all doped films was less than 55 arcsec, indicating high crystal quality. Employing pulse width modulation of Si doping, as opposed to continuous Si doping, has resulted in a reduction in surface roughness by approximately 2.83 to 9.32 times. Notably, under the conditions of a 0.3 min Si source vent time and a 0.1 min run, an activation ratio of up to 99.1% was achieved, maximizing the electrical performance. This included achieving the lowest resistivity of 0.0042 Ω·cm and an electron mobility of 44.1 cm2/(V s) at a carrier concentration of 3.35 × 1019 cm–3. The application of pulsed Si doping provided sufficient diffusion time for Si atoms, enabling effective doping and thereby enhancing the high carrier concentration electrical performance of the films, offering an effective pathway for their use as ohmic contacts in ultrawide-bandgap semiconductor devices.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142250747","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

A Phase-Field Model for Wet Snow Metamorphism 湿雪变质作用的相场模型

IF 3.8 2区化学

Crystal Growth & Design Pub Date : 2024-09-13 DOI: 10.1021/acs.cgd.4c00539

Adrian Moure, Xiaojing Fu

{"title":"A Phase-Field Model for Wet Snow Metamorphism","authors":"Adrian Moure, Xiaojing Fu","doi":"10.1021/acs.cgd.4c00539","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c00539","url":null,"abstract":"The microstructure of snow determines its fundamental properties such as mechanical strength, reflectivity, or thermo-hydraulic properties. Snow undergoes continuous microstructural changes due to local gradients in temperature, humidity, or curvature, in a process known as snow metamorphism. In this work, we focus on wet snow metamorphism, which occurs when the temperature is close to the melting point and involves phase transitions among liquid water, water vapor, and solid ice. We propose a pore-scale phase-field model that simultaneously captures the three relevant phase change phenomena: sublimation (deposition), evaporation (condensation), and melting (solidification). The phase-field formulation allows one to track the temperature evolution among the three phases and the water vapor concentration in the air. Our three-phase model recovers the corresponding two-phase transition model when one phase is not present in the system. 2D simulations of the model unveil the impact of humidity and temperature on the dynamics of wet snow metamorphism at the pore scale. We also explore the role of liquid melt content in controlling the dynamics of snow metamorphism in contrast to the dry regime before percolation onsets. The model can be readily extended to incorporate two-phase flow and may be the basis for investigating other problems involving water phase transitions in a vapor–solid–liquid system, such as airplane icing or thermal spray coating.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142250800","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

Study of the Polymorphic Transformation Mechanism and Crystal Habits Control of Peramivir from Dihydrate to Trihydrate 佩拉米韦从二水合物到三水合物的多态转变机制和晶体习性控制研究

IF 3.8 2区化学

Crystal Growth & Design Pub Date : 2024-09-12 DOI: 10.1021/acs.cgd.4c00842

Shuwang Ge, Mingwei Fu, Zhuoer Cai, Dihai Gu, Yan Ma, Huaiqiu Wang, Min Ge, Yihong Wang

{"title":"Study of the Polymorphic Transformation Mechanism and Crystal Habits Control of Peramivir from Dihydrate to Trihydrate","authors":"Shuwang Ge, Mingwei Fu, Zhuoer Cai, Dihai Gu, Yan Ma, Huaiqiu Wang, Min Ge, Yihong Wang","doi":"10.1021/acs.cgd.4c00842","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c00842","url":null,"abstract":"Peramivir is an effective antiviral drug for treating influenza A and B with the trihydrate form as the solid serving. However, a small amount of dihydrate still exists during the manufacturing process in a few production batches. Focusing on the problem, this study successfully obtained a new dihydrate single crystal structure, a higher-quality trihydrate single crystal structure surpassing previously reported findings, and a novel anhydrous form designated as form A. A comprehensive comparison of the crystal structure, crystal habits, thermal analysis, desolvation behavior, solubility, Hirshfeld Surfaces analysis, and energy frameworks was studied between peramivir dihydrate and trihydrate to understand the processes of water molecules binding on and off. The transformation process among the three crystal forms and the amorphous form revealed that the trihydrate form exhibits the most stability. The study of the polymorphic transformation mechanism revealed that dihydrate crystals precipitate initially, dissolve thereafter, and then transform into trihydrate crystals during crystallization. The conversion rate was related strongly to the stirring speed, and increasing the stirring speed accelerated both dissolution and crystal transformation, resulting in a reduction in the duration of crystallization. The crystallization time from dihydrate to trihydrate was shortened from 10 to 5.5 h when the stirring speed was increased from 50 to 300 rpm. The contrasting crystal habits of peramivir dihydrate (long rod-shaped) and trihydrate (tetragonal-shaped) also provide a quick estimate of mixed crystals. These studies made the crystal process stable and controlled, and pure trihydrate was obtained in a shorter time in industrial production.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142250802","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

A Novel Rotaxane@MOF as Multiresponsive Fluorescence Sensor for Detecting Fe3+, Cr2O72–, and Antibiotics 用于检测 Fe3+、Cr2O72- 和抗生素的新型 Rotaxane@MOF 多反应荧光传感器

IF 3.8 2区化学

Crystal Growth & Design Pub Date : 2024-09-12 DOI: 10.1021/acs.cgd.4c00913

Li-Xia He, Xiao Xiao, Yao-Mei Fu, Ning-Hao Wang, Jing Sun, Xinlong Wang, Xingqi Han, Zhong-Min Su, Xue-Song Wu

{"title":"A Novel Rotaxane@MOF as Multiresponsive Fluorescence Sensor for Detecting Fe3+, Cr2O72–, and Antibiotics","authors":"Li-Xia He, Xiao Xiao, Yao-Mei Fu, Ning-Hao Wang, Jing Sun, Xinlong Wang, Xingqi Han, Zhong-Min Su, Xue-Song Wu","doi":"10.1021/acs.cgd.4c00913","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c00913","url":null,"abstract":"The first example rotaxane@MOF (named as CUST-761) has been designed and constructed via combining CB[6]-based rotaxane ([PR44]2+·2[NO3]−), 4,4′-biphenyldicarboxylate sodium salts (Na2BPDC), and transition metal cadmium ion under solvothermal conditions. X-ray single crystal diffraction revealed CUST-761 exhibits a two-dimensional (2D) layered structure where rotaxanes are well embedded in the crystal lattices formed by BPDCs and cadmium ions. Thermogravimetric analysis (TGA) and Powder X-ray diffraction (PXRD) showed that CUST-761 possesses excellent stability. The utility of CUST-761 as fluorescence sensors has also been discussed. The results indicated that CUST-761 can be used as a multiresponsive fluorescence sensor for detecting Fe3+ and Cr2O72– with good sensitivity, high selectivity, and recoverability, even in the presence of other interfering ions. Besides, CUST-761 also can selectively detect nitrofurantoin. The mechanism of CUST-761 as a multiresponsive fluorescence sensor for detecting Fe3+, Cr2O72–, and the antibiotic nitrofurantoin has been clarified by experiments and theoretical calculations. This work provides insights into the design and synthesis of fluorescence sensing crystal-state materials.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142250803","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

Preparation of GaN Nanocrystals with Single Ag Cores 制备具有单个银核的氮化镓纳米晶体

IF 3.8 2区化学

Crystal Growth & Design Pub Date : 2024-09-12 DOI: 10.1021/acs.cgd.4c00776

Vojtěch Ćalkovský, Jindřich Mach, Miroslav Bartošík, Jakub Piastek, Marek Kostka, Vojtěch Mikerásek, Linda Supalová, Martin Konečný, Michal Kvapil, Michal Horák, Tomáš Šikola

引用次数: 0

Optimization of Growth Temperature and V/III Ratio toward High-Quality Si-Doped Aluminum Nitride Thin Films on Sapphire 优化生长温度和 V/III 比率，在蓝宝石上形成高质量的掺硅氮化铝薄膜

IF 3.8 2区化学

Crystal Growth & Design Pub Date : 2024-09-12 DOI: 10.1021/acs.cgd.4c00685

Haicheng Cao, Mingtao Nong, Xiao Tang, Che-hao Liao, Glen Isaac Maciel Garcia, Vishal Khandelwal, Ying Wu, Xiaohang Li

{"title":"Optimization of Growth Temperature and V/III Ratio toward High-Quality Si-Doped Aluminum Nitride Thin Films on Sapphire","authors":"Haicheng Cao, Mingtao Nong, Xiao Tang, Che-hao Liao, Glen Isaac Maciel Garcia, Vishal Khandelwal, Ying Wu, Xiaohang Li","doi":"10.1021/acs.cgd.4c00685","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c00685","url":null,"abstract":"Ultrawide-band-gap aluminum nitride (AlN) boasts high breakdown field strength, superior thermal conductivity, and exceptional stability, making it ideal for deep ultraviolet optoelectronics, radio frequency, and power devices. To date, the epitaxial growth of high-quality doped AlN via MOCVD has primarily been on AlN or SiC single-crystal substrates to reduce dislocation densities. However, the limited size and high cost of these single-crystal substrates necessitate the exploration of alternative substrates to enhance commercial viability. This study demonstrates and analyzes the epitaxial growth modes and conductivity modulation mechanisms of AlN:Si on a cost-effective sapphire substrate. By adjusting MOCVD epitaxial parameters: growth temperature and V/III ratio, we controlled the impact of compensating defects (CN and VAl) on conductivity, achieving conductivity enhancements of 26 and 41%, respectively. Our research validates the feasibility of obtaining AlN:Si with enhanced electrical performance and crystal quality on sapphire substrates. It represents a significant step toward the development of high-power, high-efficiency AlN electronic devices.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142194694","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