Crystal Growth & Design最新文献

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Mechanisms of Flow-Induced Multistep Structure Evolution in Semicrystalline Polymers Revealed by Molecular Simulations 分子模拟揭示半结晶聚合物中流动诱导多步结构演变的机理
IF 3.8 2区 化学
Crystal Growth & Design Pub Date : 2024-07-10 DOI: 10.1021/acs.cgd.4c00592
Yijing Nie, Jianlong Wen, Yongqiang Ming, Yuhang Zhou
{"title":"Mechanisms of Flow-Induced Multistep Structure Evolution in Semicrystalline Polymers Revealed by Molecular Simulations","authors":"Yijing Nie, Jianlong Wen, Yongqiang Ming, Yuhang Zhou","doi":"10.1021/acs.cgd.4c00592","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c00592","url":null,"abstract":"Research on polymer crystallization induced by flow has been one of the most fascinating topics in the field of polymer science. Structural changes during polymer crystallization induced by flow follow a multiscale and multistep mechanism. However, the structural changes are complex and rapid, making it challenging to accurately observe them online in experiments. Fortunately, computer molecular simulations provide a solution by allowing us to obtain detailed information about the microstructures at different stages and scales. This enables the simulation results to provide more accurate and comprehensive explanations of the microscopic mechanisms of flow-induced crystallization. In this Review, we delve into flow-induced microstructural evolutions, including conformational transition, segmental orientation, precursor formation, and shish formation, based on the results of molecular simulations. We also discuss the mechanisms of polymer nucleation induced by flow, including the formation mechanism of precursors, nucleation mode, the respective functions of chains with different lengths, the effect of nanofillers, and the effect of entanglements. Finally, we outline the future directions for simulation work on flow-induced crystallization. This includes the need for further investigation of the effects of entanglements on local segment orientation and precursor formation as well as the development of models capable of simulating the crystallization of different polymer materials. We also anticipate that the methods related to artificial intelligence, such as machine learning or deep learning, will play a significant role in constructing complex nonlinear relationships between the crystalline structure and mechanical properties.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141585540","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
Improved Quality of InN Thin Films Using a Thin InGaN Compressive Strain Gradient Layer 利用薄 InGaN 压缩应变梯度层提高 InN 薄膜质量
IF 3.8 2区 化学
Crystal Growth & Design Pub Date : 2024-07-09 DOI: 10.1021/acs.cgd.4c00095
Satish Shetty, Andrian V. Kuchuk, Fernando Maia de Oliveira, Serhii Kryvyi, Chen Li, Paul Minor, Mohammad Zamani-Alavijeh, Nirosh M. Eldose, Subhashis Das, Dinesh Baral, Yuriy I. Mazur, H. Alan Mantooth, Gregory J. Salamo
{"title":"Improved Quality of InN Thin Films Using a Thin InGaN Compressive Strain Gradient Layer","authors":"Satish Shetty, Andrian V. Kuchuk, Fernando Maia de Oliveira, Serhii Kryvyi, Chen Li, Paul Minor, Mohammad Zamani-Alavijeh, Nirosh M. Eldose, Subhashis Das, Dinesh Baral, Yuriy I. Mazur, H. Alan Mantooth, Gregory J. Salamo","doi":"10.1021/acs.cgd.4c00095","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c00095","url":null,"abstract":"High-quality InN has significant opportunities for exciting and impactful electronic and photonic applications. These applications rely on growth techniques that produce high-quality InN thin films. To achieve the fabrication of InN semiconductor thin films with a low density of misfit and threading dislocations, we report on a growth technique that utilizes composition and strain gradients to limit the propagation of defects into InN grown on a GaN/sapphire substrate. The growth technique we have investigated utilizes a compressively strained gradient transition layer to limit the propagation of threading dislocations from the GaN buffer. Reflection high-energy electron diffraction, high-resolution X-ray diffraction, Raman spectroscopy, photoluminescence, and Hall measurements were employed to evaluate the effectiveness of the gradient transition layer to improve the quality of InN thin films. The outcome is that for InN films grown on partially graded In<sub><i>x</i></sub>Ga<sub>1–<i>x</i></sub>N (<i>x</i> → 0 to 29%), when compared with InN grown directly on a GaN substrate, we observed about a 40% decrease in edge dislocations, a 50% increase in photoluminescence, and a 20% increase in mobility. When compared to a sharp strain boundary, a linear strain gradient offers threading dislocations the opportunity to reduce the energy of the system more by leaving the system than by propagating into the strained region.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141585543","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
Boosting Intermolecular Interactions of Tetrazole and 1,2,4-Oxadiazole Enables Achieving High-Energy Insensitive Materials 增强四氮唑和 1,2,4-恶二唑的分子间相互作用,实现高能不敏感材料
IF 3.8 2区 化学
Crystal Growth & Design Pub Date : 2024-07-09 DOI: 10.1021/acs.cgd.4c00351
Huaqi Zhang, Yongbin Zou, Xue Hao, Yaxin Liu, Guofeng Zhang, Zhen Dong, Zhiwen Ye
{"title":"Boosting Intermolecular Interactions of Tetrazole and 1,2,4-Oxadiazole Enables Achieving High-Energy Insensitive Materials","authors":"Huaqi Zhang, Yongbin Zou, Xue Hao, Yaxin Liu, Guofeng Zhang, Zhen Dong, Zhiwen Ye","doi":"10.1021/acs.cgd.4c00351","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c00351","url":null,"abstract":"Noncovalent interactions in energetic compounds have a significant impact on physical and chemical properties, such as thermal stability, sensitivity, and density. By connecting 1,2,4-oxadiazole and tetrazole, we synthesized a series of new energetic compounds. These materials exhibit extensive noncovalent interactions (π–π interactions and hydrogen bonding) between molecules, leading to good detonation performance. Among them, compounds <b>4</b> and <b>6</b>–<b>8</b> exhibit high thermal stability (187–268 °C) and good detonation properties (7679–8293 m s<sup>–1</sup>; 21.0–24.6 GPa), as well as low mechanical sensitivity [friction sensitivity (FS) &gt; 360 N; impact sensitivity (IS) &gt; 40 J]. In particular, compound <b>9</b> reveals excellent comprehensive performance (Tdec = 185 °C, D = 8246 m s<sup>–1</sup>, P = 26.5 GPa, FS = 324 N, and IS = 32 J). These compounds exhibit low sensitivity, high thermal stability, and excellent detonation performance. Furthermore, utilizing the azo bridge could further reinforce the energy level, leading to the development of high-energy insensitive compounds.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141585541","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
Metal–Organic Coordination Polymers: A Review of Electrochemical Sensing of Environmental Pollutants 金属有机配位聚合物:环境污染物电化学传感综述
IF 3.8 2区 化学
Crystal Growth & Design Pub Date : 2024-07-09 DOI: 10.1021/acs.cgd.4c00421
Kingshuk Debsharma, Basudeb Dutta, Sunanda Dey, Chittaranjan Sinha
{"title":"Metal–Organic Coordination Polymers: A Review of Electrochemical Sensing of Environmental Pollutants","authors":"Kingshuk Debsharma, Basudeb Dutta, Sunanda Dey, Chittaranjan Sinha","doi":"10.1021/acs.cgd.4c00421","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c00421","url":null,"abstract":"Environmental contamination has been a notorious danger to mankind. Fast development, modern industrialization, change in lifestyle of the masses, and incomplete knowledge about material safety data sheets (MSDS) of every material/chemical discharged cause degradation of the environment. To monitor and control of such pollution, there is an urgent requirement for innovative methods for identification, classification, and quantification of the pollutants with excellent performance (like high selectivity, high sensitivity, fast response time, and reliability). Among several analytical sensing techniques, an electrochemical method of detection, using metal–organic frameworks (MOFs) as the sensing platform for trace quantity recognition of ecological analytes, grabs most of the attention due to its very high sensitivity, nonspecific way of measurement (absorption/fluorescence are very specific), both redox noninnocent and innocent analytes could be determined, quick response time, use of single instrument for different measurements, etc. MOFs are porous coordination polymers (CPs) formed by coordination of metal nodes/clusters and multitopic organic linkers as ligands. Due to their large surface area, permanent porosity, abundant microcrystalline structures and ease of the tailoring, postsynthetic modification properties of MOFs have made them advantageous for storage, catalysis, sensing, separation, and biological applications. On combining with small biomolecules, organic dyes, nanoparticles, nanowires, nanofibers, etc., composite MOFs have better mechanical stability, catalytic performance, conductivity, and sensing application. This review is focused on the recent attention of the electrochemical sensing applications of MOFs and their composites. Electrochemical sensors are an economical and suitable technique for the detection of different analytes and are extensively utilized in agriculture, food, oil, dyes and pigments, pharmaceutical industries, and biomedical applications. Herein, we have highlighted the use of MOFs in the sensing of different environmental contaminants i.e., volatile organic compounds (VOCs), phenolic compounds, heavy metal ions, antibiotics, pesticides, hydrazine, nitrite, nitroaromatic compounds, etc. This Review covers the publications from 2000 to 2024 (January), and we are confident that this review will enable new inspiration to exploit MOFs-based advanced electrochemical sensing properties in the future.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141585542","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
Simulation-Based Investigation of Curtain Gas Effect on Metal-Organic Chemical Vapor Deposition Growth of Two-Dimensional Transition Metal Dichalcogenides 基于仿真的二维过渡金属二卤化物金属有机化学气相沉积生长帘气效应研究
IF 3.8 2区 化学
Crystal Growth & Design Pub Date : 2024-07-08 DOI: 10.1021/acs.cgd.4c00477
Feng Zhang, Fanyu Zeng, Daichi Kozawa, Ryo Kitaura
{"title":"Simulation-Based Investigation of Curtain Gas Effect on Metal-Organic Chemical Vapor Deposition Growth of Two-Dimensional Transition Metal Dichalcogenides","authors":"Feng Zhang, Fanyu Zeng, Daichi Kozawa, Ryo Kitaura","doi":"10.1021/acs.cgd.4c00477","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c00477","url":null,"abstract":"This study examines the impact of curtain gas flow on metal-organic chemical vapor deposition (MOCVD) growth of two-dimensional (2D) transition metal dichalcogenides using finite element method simulations and growth experiments. The simulation results demonstrate that the curtain gas changes precursor transfer dynamics, concentrates the flow toward the substrate, and potentially lowers contamination from chamber walls. The simulation findings are supported by experimental validation using tungsten and sulfur sources, which confirms that curtain gas flow is critical in enhancing the reproducibility of 2D WS<sub>2</sub> growth. The research highlights the need to optimize gas flow dynamics in MOCVD processes to unlock the full potential of 2D materials in future electronic devices.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141585546","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
Profiling Novel, Multifunctional Silane-Phosphonate Consolidants for the Mitigation of Gypsum Stone Deterioration via Concerted Autocondensation/Surface Complexation Processes 剖析新型多功能硅烷-膦酸盐固化剂,通过协同自凝结/表面络合过程缓解石膏石材劣化问题
IF 3.8 2区 化学
Crystal Growth & Design Pub Date : 2024-07-08 DOI: 10.1021/acs.cgd.4c00327
Stefania Liakaki-Stavropoulou, Argyri Moschona, Ioannis E. Grammatikakis, Duane Choquesillo-Lazarte, Konstantinos D. Demadis
{"title":"Profiling Novel, Multifunctional Silane-Phosphonate Consolidants for the Mitigation of Gypsum Stone Deterioration via Concerted Autocondensation/Surface Complexation Processes","authors":"Stefania Liakaki-Stavropoulou, Argyri Moschona, Ioannis E. Grammatikakis, Duane Choquesillo-Lazarte, Konstantinos D. Demadis","doi":"10.1021/acs.cgd.4c00327","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c00327","url":null,"abstract":"Mineral gypsum (selenite) stones have been used extensively by ancient Cretans in the Minoan Palace of Knossos (Crete, Greece), mostly for building and ornamental purposes. Exposure of mineral gypsum to environmental stresses (temperature fluctuations, rain, air-borne pollutants, soluble salts, etc.) causes solubility-driven degradation, and loss of cohesion of the crystal aggregates, with ensuing aesthetic degradation. In this work, the efficiency of four consolidants for artificial gypsum specimens is presented and evaluated based on drilling resistance measurements [drilling resistance measuring system (DRMS)]. Two of them (commercial names RC-70 and RC-90, RC = Rhodorsil Consolidante) are alkoxysilane-based and they are considered as benchmark consolidants. The other two [3-(trihydroxysilyl)propyl methylphosphonate monosodium salt, TRIMEPHONA, and 3-(trihydroxysilyl)propylamino-diphosphonate, TRIPADIPHOS] are multifunctional consolidants because they possess a self-condensable (after hydrolysis) trihydroxysilyl [−Si(OH)<sub>3</sub>] moiety and phosphonate groups (one in the former, two in the latter). Consolidants RC-70 and RC-90 exhibit rather low consolidation effectiveness. This is not unexpected, as these are alkoxysilane-based and act simply as “fillers” for the pores of the gypsum. Consolidant TRIMEPHONA demonstrates an enhanced level of consolidation action. This is due to its double functionality, i.e., the presence of an anionic phosphorus-based moiety that anchors onto the gypsum surface, and a condensable silane triol [−Si(OH)<sub>3</sub>] unit. Consolidant TRIPADIPHOS shows excellent gypsum consolidation features and is much more efficient (per unit concentration) than all other tested consolidants. This is assigned to its better gypsum anchoring ability via surface Ca-complexation. Selected compressive strength studies were performed on gypsum samples treated with the phosphorus-based consolidants, and corroborate the findings from DRMS. To shed further light on possible binding modes of the phosphonate moiety on surface Ca<sup>2+</sup> sites in gypsum, two model compounds were synthesized and structurally characterized, Ca–C2D and Ca–C3D (C2D = ethylamino-di(methylenephosphonic acid) and C3D = propylamino-di(methylenephosphonic acid).","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141585545","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
New Pillar-MOF with Nitrogen-Donor Sites for CO2 Adsorption 具有氮供体吸附二氧化碳位点的新型 Pillar-MOF
IF 3.8 2区 化学
Crystal Growth & Design Pub Date : 2024-07-08 DOI: 10.1021/acs.cgd.3c01182
Andrés Lancheros, Subhadip Goswami, Ximena Zarate, Elodie Blanco, Eduardo Schott, Joseph T. Hupp
{"title":"New Pillar-MOF with Nitrogen-Donor Sites for CO2 Adsorption","authors":"Andrés Lancheros, Subhadip Goswami, Ximena Zarate, Elodie Blanco, Eduardo Schott, Joseph T. Hupp","doi":"10.1021/acs.cgd.3c01182","DOIUrl":"https://doi.org/10.1021/acs.cgd.3c01182","url":null,"abstract":"A new pillar-MOF [Zn<sub>2</sub>(L)(DABCO)] was solvothermally synthesized by using a new linker (L = 4,4′-(1,4-phenylenebis(3,5-dimethyl-1<i>H</i>-pyrazole-4,1-diyl))dibenzoic acid), Zn(NO<sub>3</sub>)<sub>2</sub>·6H<sub>2</sub>O, and triethylenediamine (DABCO) as pillar linker. It was characterized using single-crystal X-ray diffraction, powder X-ray diffraction (PXRD), thermogravimetric analysis (TGA), and scanning electron microscopy (SEM) and tested for CO<sub>2</sub> adsorption. It exhibits dinuclear paddle–wheel nodes where the Zn(II) cations are coordinated by four equatorial L linkers generating two-dimensional sheets. DABCO acted as a pillar binding the sheets to obtain a neutral three-dimensional framework that shows one-dimensional square channels. The new pillar-layered MOF presents micro- and mesopores, and its crystallinity is preserved after activation at 160 °C × 16 h and adsorption of CO<sub>2</sub>. Due to the presence of the pyrazole nitrogen atoms in the framework, which have an increased affinity toward CO<sub>2</sub>, this new material exhibited a reasonable CO<sub>2</sub> uptake capacity and a low isosteric enthalpy of adsorption (<i>H</i><sub>ads</sub>).","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141585544","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
Exploring the Dual Realm of Solvent-Responsive Structural Transformations and Semiconducting Properties of Six 1D Coordination Polymers 探索六种一维配位聚合物的溶剂响应性结构转变和半导体特性的双重领域
IF 3.8 2区 化学
Crystal Growth & Design Pub Date : 2024-07-06 DOI: 10.1021/acs.cgd.4c00597
Pintu Das, Anupam Maiti, Supravat Ghosh, Partha Pratim Ray, Debajyoti Ghoshal
{"title":"Exploring the Dual Realm of Solvent-Responsive Structural Transformations and Semiconducting Properties of Six 1D Coordination Polymers","authors":"Pintu Das, Anupam Maiti, Supravat Ghosh, Partha Pratim Ray, Debajyoti Ghoshal","doi":"10.1021/acs.cgd.4c00597","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c00597","url":null,"abstract":"Six coordination polymers of Zn(II)/Cd(II)/Co(II) have been synthesized using the same <i>N</i>,<i>N</i>-donor ligand, namely, <i>N</i>′-(1-(pyridine-3-yl)ethylidene) isonicotinohydrazide (3-pei) and two aromatic dicarboxylates, namely, terephthalate (tp<sup>2–</sup>) and tetrabromo-terephthalate (tbtp<sup>2–</sup>). The single-crystal structural analysis reveals a one-dimensional framework interconnected by both sides of the dicarboxylyate linker. Notably, the presence of coordinated water in all compounds prompted an investigation into solvent-dependent structural transformations. The systematic exploration of structural transformations using PXRD confirmed solvent-dependent structural variations. Furthermore, band gap calculations from UV–vis data motivated for an examination of the conductive properties of all compounds. The conductivity study indicates that compared to Zn and Cd complexes, the Co-based complexes (compounds <b>3</b> and <b>6</b>) exhibit higher conductance values of 5.76 × 10<sup>–4</sup> and 1.33 × 10<sup>–3</sup> Sm<sup>–1</sup>, respectively, which may be applicable for semiconducting materials. The superior conductance of Co compounds and the solvent-dependent structural transformations of all six compounds are explained by correlating with their respective structures.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-07-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141585549","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
Structure and Morphology Controlled Growth of Bismuth Selenide Films with Tunable Transport Properties on H-Passivated Si(111) by Molecular Beam Epitaxy 通过分子束外延技术在氢钝化硅(111)上生长具有可调谐传输特性的硒化铋薄膜的结构和形态控制
IF 3.8 2区 化学
Crystal Growth & Design Pub Date : 2024-07-05 DOI: 10.1021/acs.cgd.4c00136
Junye Li, Peng Zhao, Ting Liu, Chenxu Fang, Xueying Sun, Rui Qi, Haining Ji, Jianwei Wang, Handong Li, Xiaobin Niu, Zhiming Wang
{"title":"Structure and Morphology Controlled Growth of Bismuth Selenide Films with Tunable Transport Properties on H-Passivated Si(111) by Molecular Beam Epitaxy","authors":"Junye Li, Peng Zhao, Ting Liu, Chenxu Fang, Xueying Sun, Rui Qi, Haining Ji, Jianwei Wang, Handong Li, Xiaobin Niu, Zhiming Wang","doi":"10.1021/acs.cgd.4c00136","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c00136","url":null,"abstract":"The structures of bismuth selenides are formed by periodic or nonperiodic stacking of Bi<sub>2</sub>Se<sub>3</sub> quintuple layers and Bi<sub>2</sub> bilayers, which can be represented by a general formalism of Bi<sub><i>x</i></sub>Se<sub><i>y</i></sub> (<i>x</i>, <i>y</i> &gt; 0). In this work, we report the controlled growth and morphology characteristics of Bi<sub><i>x</i></sub>Se<sub><i>y</i></sub> films on Si(111) by the coevaporation of Bi and Se using molecular beam epitaxy, as well as the basic transport properties. The higher growth temperature limit for achieving stoichiometric Bi<sub>4</sub>Se<sub>3</sub> films of a single-crystalline structure and smooth surface morphology is found to be as low as 350 K. At this temperature, a series of Bi<sub><i>x</i></sub>Se<sub><i>y</i></sub> films with a continuous composition evolution from Bi<sub>4</sub>Se<sub>3</sub> to Bi<sub>2</sub>Se<sub>3</sub> is obtained by precisely adjusting the Bi:Se flux ratios. All Bi<sub><i>x</i></sub>Se<sub><i>y</i></sub> films grown on flat Si(111) share a similar pyramid morphology, owing to a spiral growth mode. By contrast, Bi<sub>4</sub>Se<sub>3</sub> films grown on a vicinal Si(111) surface, for instance, exhibit lower twinning defects due to a step-confined in-plane anisotropic growth mode. Hall effect measurements show that a metal-to-semiconductor-to-metal phase transition occurs in Bi<sub><i>x</i></sub>Se<sub><i>y</i></sub> films with increasing Se composition.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141551073","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
In the Footsteps of Pasteur: Finding Conglomerates by Using State-of-the-Art Electron Diffraction 巴斯德的足迹:利用最先进的电子衍射技术寻找集合体
IF 3.8 2区 化学
Crystal Growth & Design Pub Date : 2024-07-05 DOI: 10.1021/acs.cgd.4c00513
Ivo B. Rietveld, Felix Painsecq, Christian Jandl, Danny Stam, Gerard Coquerel
{"title":"In the Footsteps of Pasteur: Finding Conglomerates by Using State-of-the-Art Electron Diffraction","authors":"Ivo B. Rietveld, Felix Painsecq, Christian Jandl, Danny Stam, Gerard Coquerel","doi":"10.1021/acs.cgd.4c00513","DOIUrl":"https://doi.org/10.1021/acs.cgd.4c00513","url":null,"abstract":"Chiral discrimination in the solid state is crucial for chiral resolution and deracemization, which in turn determines the efficacy of pharmaceuticals and other chemicals. Several methods to identify conglomerates exist; however, the newest developments in electron diffraction are now capable of rapidly providing unambiguous information about the absolute structure, irrespective of whether these crystals consist of chiral or achiral molecules. It could rapidly evolve into an important tool to identify conglomerates for chiral resolution.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141551074","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
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