Crystal Research and Technology最新文献_第9页

A Theoretical Insight into the Physical Characteristics of Double Perovskite Rb2TlInBr6 for Renewable Energy Applications 对用于可再生能源应用的双包晶石 Rb2TlInBr6 物理特性的理论见解

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2024-02-26 DOI: 10.1002/crat.202300329

Saif M. H. Qaid, Quratul Ain, Masoofa Akhtar, Hudabia Murtaza, Hamid M. Ghaithan, Abdullah Ahmed Ali Ahmed, Junaid Munir

{"title":"A Theoretical Insight into the Physical Characteristics of Double Perovskite Rb2TlInBr6 for Renewable Energy Applications","authors":"Saif M. H. Qaid, Quratul Ain, Masoofa Akhtar, Hudabia Murtaza, Hamid M. Ghaithan, Abdullah Ahmed Ali Ahmed, Junaid Munir","doi":"10.1002/crat.202300329","DOIUrl":"10.1002/crat.202300329","url":null,"abstract":"Metal halide perovskites have gained prominence in optoelectronics recently, thanks to their unique optical and electrical properties, along with their adaptable morphologies. The current work reports the electronic, structural, mechanical, optical, and thermoelectric traits of Rb2TlInBr6 for the very first time. The confirmation of thermodynamic stability is evidenced by the negative value of the formation energy, while structural stability is established by calculating values for the tolerance factor and octahedral tilting. Elastic constants (Cij) and mechanical attributes are evaluated to assess perovskites’ ability to resist external strains. Electronic band structures computed with GGA and mBJ potentials depict a semiconducting nature containing indirect bandgap of 1.8 and 2.42 eV, respectively. Optical characteristics of Rb2TlInBr6 ensure that it can be used effectively for optoelectronic applications. An insight into the thermoelectric characteristic is assessed through BoltzTraP code. The electrical conductivity and ZT reveal the ability of Rb2TlInBr6 to be utilized in green energy devices.","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"59 3","pages":""},"PeriodicalIF":1.5,"publicationDate":"2024-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139978835","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

Recent Advancements in α-Ga2O3 Thin Film Growth for Power Semiconductor Devices via Mist CVD Method: A Comprehensive Review 通过雾 CVD 法生长用于功率半导体器件的 α-Ga2O3 薄膜的最新进展：全面综述

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2024-02-23 DOI: 10.1002/crat.202300311

Abhay Kumar Mondal, Loh Kean Ping, Muhammad Aniq Shazni Mohammad Haniff, Raihana Bahru, Mohd Ambri Mohamed

{"title":"Recent Advancements in α-Ga2O3 Thin Film Growth for Power Semiconductor Devices via Mist CVD Method: A Comprehensive Review","authors":"Abhay Kumar Mondal, Loh Kean Ping, Muhammad Aniq Shazni Mohammad Haniff, Raihana Bahru, Mohd Ambri Mohamed","doi":"10.1002/crat.202300311","DOIUrl":"10.1002/crat.202300311","url":null,"abstract":"This review discusses the impact of alpha-gallium oxide (α-Ga2O3) on potential high-power device applications. To date, there are high requirements for efficient high-power delivery and low-power loss device material in power industries. III-VI oxide semiconductor family, α-Ga2O3, is recognized as a promising, future power semiconductor material owing to its ultrawide bandgap of 5.3 eV, high breakdown field of 10 MV cm−1, and a large Baliga's figure of merit. A highly expected α-Ga2O3 power semiconductor electronic device (Schottky barrier diode and field effect transistor) can perform better than conventional semiconductor materials Si, SiC, and GaN. However, there is a lack of research into using mist CVD to cultivate high-quality α-Ga2O3 for high-power devices like FETs and SBDs. Currently, the mist CVD-grown α-Ga2O3 thin film power device is still in its early stages, and one of the main reasons for this is defects of the thin film, which impede material electron mobility. The purpose of writing this article is to provide an overview of the development of α-Ga2O3 heteroepitaxial thin film by the mist CVD process for use in high-power devices such as Schottky barrier diodes (SBD) and field effect transistors (MOSFET). 1. α-Ga2O3 α-Ga2O3. Furthermore, multiple viewpoints highlight the challenges and future trends toward device performance sustainability in a scientific society.","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"59 3","pages":""},"PeriodicalIF":1.5,"publicationDate":"2024-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139946512","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

Control of Liquid–Liquid Phase Separation, Nucleation, and Growth of L-Menthol Single Crystals from Water–Ethanol Solvent Mixtures 从水-乙醇混合溶剂中控制液-液相分离、成核和 L-薄荷醇单晶的生长

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2024-02-19 DOI: 10.1002/crat.202300327

Kowsalya Murugan, Srinivasan Karuppannan

{"title":"Control of Liquid–Liquid Phase Separation, Nucleation, and Growth of L-Menthol Single Crystals from Water–Ethanol Solvent Mixtures","authors":"Kowsalya Murugan, Srinivasan Karuppannan","doi":"10.1002/crat.202300327","DOIUrl":"10.1002/crat.202300327","url":null,"abstract":"L-Menthol is a commonly used material in food production for flavor enhancement and fragrances, as well as in pharmaceuticals. However, during the solution crystallization process of L-menthol, there is a major issue of oiling out or liquid–liquid phase separation (LLPS) in most organic solvents and their mixtures. The objective of the current work is to prevent the LLPS phenomenon and grow high-quality single crystals of L-menthol. A water–ethanol mixed solvent with nine different mixing ratios is used, ranging from 0.99W:0.01E to 0.91W:0.09E, through the conventional slow evaporation process. The findings indicate that the mixing composition of the solvent plays a significant role in the variation of solubility, refractive index, LLPS, nucleation, and crystallization. This is clearly demonstrated in the phase diagram. The occurrence of LLPS phenomenon, nucleation, growth behavior, and morphology of L-menthol single crystals through optical microscopy is identified. Additionally, the internal structure and thermal stability of the grown polymorphs using PXRD, SCXRD, and DSC analyses are confirmed.","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"59 4","pages":""},"PeriodicalIF":1.5,"publicationDate":"2024-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139909543","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

Crystal Growth and Structural Characterization of Cs2LiLaBr6:Ce Using Neutron Diffraction 利用中子衍射分析 Cs2LiLaBr6:Ce 的晶体生长和结构特征

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2024-02-14 DOI: 10.1002/crat.202300291

Zhuochen Cai, Ziang Yin, Xianggang Zhang, Fan Yang, Ningbo Jia, Wen Yin, Qinghua Zhao, Chunhai Wang, Fa Luo, Aizhong Yue, Tao Wang

{"title":"Crystal Growth and Structural Characterization of Cs2LiLaBr6:Ce Using Neutron Diffraction","authors":"Zhuochen Cai, Ziang Yin, Xianggang Zhang, Fan Yang, Ningbo Jia, Wen Yin, Qinghua Zhao, Chunhai Wang, Fa Luo, Aizhong Yue, Tao Wang","doi":"10.1002/crat.202300291","DOIUrl":"10.1002/crat.202300291","url":null,"abstract":"Ce-doped Cs2LiLaBr6 (CLLB) scintillator crystals, known for their superior neutron/gamma dual-mode detection capability and exceptional scintillation properties, have garnered significant attention for both fundamental science and practical applications. The role of Ce3+ cations as luminescent centers is pivotal, influencing the scintillation properties as their concentration varies. While the effects of Ce3+ concentration on scintillation performance are well-documented, the ramifications for crystalline structure remain less explored. In this study, high-quality CLLB:Ce single crystals are fabricated(atomic packing factor of maximum doped Ce is 0.04%) using the vertical Bridgman (VB) method and subsequently characterized their crystalline structure by neutron diffraction, X-ray diffraction (XRD), and elemental analysis. The findings reveal a correlation between Ce3+ concentration and the crystal cell parameters, presenting intriguing deviations from Vegard's law. Such observations suggest the potential presence of alternative defects, potentially Li+ interstitials, in CLLB:Ce. This work offers critical insights for advancing the understanding and optimization of CLLB:Ce scintillators.","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"59 3","pages":""},"PeriodicalIF":1.5,"publicationDate":"2024-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139769228","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

Employing the Microemulsion Synthesis Technique to Investigate the Structural and Magnetic Properties of Multicomponent Ferrite Nanoparticles 利用微乳液合成技术研究多组分铁氧体纳米粒子的结构和磁性能

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2024-02-14 DOI: 10.1002/crat.202300269

Sanjeev Kumar, Shivangi Singhal, Avaani Chanana

引用次数: 0

Preparation and Mechanism of Calcium Carbonate Whiskers from DoLOMITE Refined Solution 从 DoLOMITE 精制溶液中制备碳酸钙晶须及其机理

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2024-02-14 DOI: 10.1002/crat.202300305

Shu-Yi Hua, Qiang Zheng, Feng Yu, Ting-Yu Qi, Ya-Li Ma, Song-Yan Jia, Tian-Bo Fan, Xue Li

{"title":"Preparation and Mechanism of Calcium Carbonate Whiskers from DoLOMITE Refined Solution","authors":"Shu-Yi Hua, Qiang Zheng, Feng Yu, Ting-Yu Qi, Ya-Li Ma, Song-Yan Jia, Tian-Bo Fan, Xue Li","doi":"10.1002/crat.202300305","DOIUrl":"10.1002/crat.202300305","url":null,"abstract":"The preparation of calcium carbonate whiskers by gas-liquid contact method using low-grade dolomite refining solution and CO2 as raw materials has attracted widespread attention. The effects of reaction temperature, Mg2+ concentration and pH value on the morphology, particle size, aspect ratio and crystal form of CaCO3（Calcium carbonate） whiskers are investigated in detail. SEM (Scanning Electron Microscope) and XRD (X-ray powder diffraction) are combined to analyze the calcium carbonate whiskers. The results demonstrated that under the conditions such as 100 °C, Mg2+ concentration of 0.05 mol L−1 and pH value of 9.5, calcium carbonate whiskers with uniform distribution, aspect ratio of 15–20, and purity of 99.38% can be prepared. Through Material Studios simulation software and critical nucleation energy analysis, it is confirmed that the morphology of calcium carbonate whiskers emerged to be a long hexagonal prism. Mg2+ in the refined solution would adhere to the surface of calcium carbonate during carbonization, inhibit the formation of calcite phase, and promote the growth of face clusters connected by vertex angles between CaCO3 crystals. The initial pH condition determines the solubility of CO32− and the supersaturation of the solution, which in turn affected the formed calcium carbonate crystal form.","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"59 3","pages":""},"PeriodicalIF":1.5,"publicationDate":"2024-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139769007","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

Masthead: Crystal Research and Technology 2'2024 刊头：晶体研究与技术 2'2024

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2024-02-12 DOI: 10.1002/crat.202470028

引用次数: 0

(Crystal Research and Technology 2/2024) (水晶研究与技术 2/2024）

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2024-02-12 DOI: 10.1002/crat.202370026

引用次数: 0

Effect of Cr Segregation on Mechanical Behavior and Deformation Mechanism of Ni─Co─Cr Alloy 铬偏析对镍─钴─铬合金机械行为和变形机理的影响

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2024-02-01 DOI: 10.1002/crat.202300275

Zhiyuan Bai, Boyu Chen, Jiayin Zhang, Di Liu, Xuefeng Lu, Dan Yang, Junchen Li, Xin Guo

{"title":"Effect of Cr Segregation on Mechanical Behavior and Deformation Mechanism of Ni─Co─Cr Alloy","authors":"Zhiyuan Bai, Boyu Chen, Jiayin Zhang, Di Liu, Xuefeng Lu, Dan Yang, Junchen Li, Xin Guo","doi":"10.1002/crat.202300275","DOIUrl":"10.1002/crat.202300275","url":null,"abstract":"Ni─Co alloys have attracted extensive attention from materials researchers in recent years because of their excellent properties. The effect of solute segregation on the properties of the alloy is studied by molecular dynamics simulation. The results show that the yield strength increases from 2.8 to 3.5 GPa when the solute atom Cr is introduced into the grain boundary. Under the action of stress, the disorder of segregation grain boundary is enhanced, which hinders the growth of grain, produces less layer fault structure, and the peak number of HCP (Hexagonal Close Packed) atom decreases from 50 000 to 37 000. The introduction of solute atoms provides a strong support for the grain boundary and has a similar skeleton structure, which improves the deformation resistance of the lattice. In addition, the improved grain boundary stability leads to the difficulty of nucleation of the dislocation, because the obstruction of the grain boundary makes it difficult to activate the dislocation source in the adjacent grain, and the maximum reduction of the perfect dislocation is 74%. In general, the microscopic mechanism of solute segregation strengthening is discussed from dislocation, phase structure, and energy, which provides guidance for plastic deformation of solid-solution alloys.","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"59 3","pages":""},"PeriodicalIF":1.5,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139662342","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

Effect of π–π Interactions on Morphology of Nonplanar Binary Halogen-Bonded Cocrystals π-π相互作用对非平面二元卤键共晶体形态的影响

IF 1.5 4区材料科学

Crystal Research and Technology Pub Date : 2024-02-01 DOI: 10.1002/crat.202300315

Yuqi Zheng, Zhao Qu, Yichao Wu, Zilong Wang, Zhenxun Tang, Tao Wen, Zhuoyu Ji

{"title":"Effect of π–π Interactions on Morphology of Nonplanar Binary Halogen-Bonded Cocrystals","authors":"Yuqi Zheng, Zhao Qu, Yichao Wu, Zilong Wang, Zhenxun Tang, Tao Wen, Zhuoyu Ji","doi":"10.1002/crat.202300315","DOIUrl":"10.1002/crat.202300315","url":null,"abstract":"The application of organic crystal in different photoelectric device has different demand on the crystal structure and morphology, while the self-assembly of different materials into crystals with a desired morphology remains a challenge. Herein, using three binary halogen-bonded cocrystals involving a nonplanar halogen accepter molecule tetra(4-pyridyl)-tetrathiafulvalene (TTF(py)4), co-crystallized with halogen donor aryl iodides C6F6-xIx (x = 2,3, 1,3,5-trifluoro-2,4,6-triiodobenzene (IFB), meta-1,3-diiodotetrafluorobenzene (mdIFB) or para-1,3-diiodotetrafluorobenzene (pdIFB)), are reported. TTF(py)4-IFB cocrystals are formed primarily via N···I halogen bonds and F···H hydrogen bonds, while TTF(py)4-mdIFB cocrystals and TTF(py)4-pdIFB cocrystals are formed primarily via π–π Interactions, N···I halogen bonds and F···H hydrogen bonds, homogeneous π–π interactions are dominant in TTF(py)4-mdIFB, while heterogeneous π–π interactions are dominant in TTF(py)4-pdIFB. Through predicted morphology based on the attachment energy (Eatt) theory, especially π–π interaction, the influence of intermolecular interactions on crystal morphology is analyzed. The study demonstrates that the π–π interaction plays an important role in regulating the crystal structure and morphology, the work provides a deeper understanding of π–π interactions in nonplanar binary halogen-bonded cocrystals.","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"59 3","pages":""},"PeriodicalIF":1.5,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139662242","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