{"title":"Issue Information: Crystal Research and Technology 9'2024","authors":"","doi":"10.1002/crat.202470041","DOIUrl":"https://doi.org/10.1002/crat.202470041","url":null,"abstract":"","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"59 9","pages":""},"PeriodicalIF":1.5,"publicationDate":"2024-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/crat.202470041","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142165369","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Yiyang Zhao, Hao Chen, Gaogao Li, Yonghui Shao, Xiaodi Liu
{"title":"Morphology-Controlled Synthesis of Hierarchical Copper Hydroxyphosphate Microcrystals in Alkaline Buffer Solution and their Optical Properties","authors":"Yiyang Zhao, Hao Chen, Gaogao Li, Yonghui Shao, Xiaodi Liu","doi":"10.1002/crat.202400120","DOIUrl":"10.1002/crat.202400120","url":null,"abstract":"<p>A series of copper hydroxyphosphate (Cu<sub>2</sub>(OH)PO<sub>4</sub>) microcrystals with different shapes, including straw sheaf-like microcrystals, microrods-assembled microflowers, four-edged arrow-like microcrystals, and four-pointed star-like dendrites, are prepared by a hydrothermal method in Na<sub>2</sub>HPO<sub>4</sub>-NaOH buffer solutions. The buffer solutions serve as both reactant and solvent. More importantly, the pH values of the alkaline buffer solutions significantly affect the morphologies of Cu<sub>2</sub>(OH)PO<sub>4</sub> microcrystals. Four samples have absorption bands in the near-ultraviolet, visible, and near-infrared regions; furthermore, four Cu<sub>2</sub>(OH)PO<sub>4</sub> microcrystals exhibit different band gap energies (3.06, 2.78, 2.68, and 2.39 eV) owing to their different structures. This strategy can be scaled up for the simple, green, and low-cost production of Cu<sub>2</sub>(OH)PO<sub>4</sub> microcrystals.</p>","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"59 10","pages":""},"PeriodicalIF":1.5,"publicationDate":"2024-09-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142183596","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}
{"title":"Study on the Plastic Deformation Mechanism of Void-Containing Twin-Crystal Magnesium with Symmetric Tilt Grain Boundary Angles","authors":"Qin Li, Junping Yao, Zhichen Wu, Buwei Li, Guoxing Chen, Lanmin Zhou","doi":"10.1002/crat.202400119","DOIUrl":"https://doi.org/10.1002/crat.202400119","url":null,"abstract":"<p>A twin-crystal magnesium (Mg) model with 9 different symmetric tilt grain boundary (STGB) angles (20°–80°) with preset nanohole defects is established by atomsk and lammps software. The mechanical behavior of grain boundary (GB) angles on twin-crystal Mg with cavity defects and its cavity evolution are simulated by the molecular dynamics method with embedded atomic potential, and the plastic deformation mechanism is revealed. The results show that the yield stress decreases with the increase of the STGB Angle during the stretching process. When the GB Angle increases from 20° to 80°, the yield stress decreases from 2.28 to 1.42 Gpa. This is because the larger the STGB Angle is, the larger the Schmidt factor is, and the easier it is to start dislocation slip during the stretching process. On the other hand, the larger the Angle of STGB, the more the number of atomic voids at the interface, and the more the number of dislocation nucleation points. The larger the Angle of STGB, the lower the strength of twinning Mg but the better the plasticity to avoid fracture. The plastic deformation mechanism mainly includes the nucleation of Shockley incomplete dislocation at STGBs, dislocation slip generates stacking faults (SFs), GB migration, and base plane dislocations.</p>","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"59 9","pages":""},"PeriodicalIF":1.5,"publicationDate":"2024-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142165727","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}
Haiyang Wang, Hao Zhang, Hong Cao, Jun Xue, Arramel, Jing Zou, Jizhou Jiang
{"title":"Revolutionizing Construction: Harnessing Phosphorus Tailings for Lightweight, High-Strength Wall Materials","authors":"Haiyang Wang, Hao Zhang, Hong Cao, Jun Xue, Arramel, Jing Zou, Jizhou Jiang","doi":"10.1002/crat.202400094","DOIUrl":"https://doi.org/10.1002/crat.202400094","url":null,"abstract":"<p>The beneficiation of low-grade phosphate ore leads to the production of a substantial quantity of phosphate tailings, thereby not only occupying land but also endangering the environment and potentially posing safety concerns. In this work, extrusion molding, steam-curing, and calcined phosphate tailings are employed to fabricate lightweight wall materials with superior strength. It is found that the wall material has a special structure of interwoven needle-like crystals as a way to provide high flexural strength. The main composition of 34.94% phosphate tailings, 36.75% calcined phosphate tailings, 16.64% silica fume, 6.67% anhydrous magnesium sulfate is required to achieve an optimal maintenance process for 4 h of heat preservation at 120 °C saturated vapor pressure environment. The prepared wall materials yield a flexural strength of 24.9 MPa, compressive strength of 18.9 MPa, softening coefficient of 0.81, apparent density of 1.594 g cm<sup>−3</sup>, and thermal conductivity of 0.269 w/(m K), which meet the requirements of the Chinese standard “Lightweight strip board for building partition walls”. Moreover, the calculation revealed that phosphate tailings have a comprehensive utilization rate of 77.23%, effectively mitigating the issues arising from their accumulation and serving as an efficient means of utilizing solid waste derived from phosphate tailings.</p>","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"59 9","pages":""},"PeriodicalIF":1.5,"publicationDate":"2024-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142165728","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}
{"title":"Adhesion, Stability and Electronic Properties of Ag/SnO2 Interface from First-Principles Calculation","authors":"Yunhui Xu, Jintao Li, Wensong Teng, Defeng Cui, Xiaolong Zhou","doi":"10.1002/crat.202400126","DOIUrl":"10.1002/crat.202400126","url":null,"abstract":"<p>The interfacial bonding state between each oxide and the silver matrix in AgCuOIn<sub>2</sub>O<sub>3</sub>SnO<sub>2</sub> electrical contact materials remains unclear. To address this, first-principles calculations using density-functional theory are employed to establish the low-index surfaces of Ag and SnO<sub>2</sub> and perform convergence tests. Computational results reveal that the Ag (111) surface and the SnO<sub>2</sub>(110)-O surface exhibit the highest stability among their respective low-index surfaces. Consequently, these surfaces are chosen to form the interfacial model, and their atomic structure, adhesion work, and interfacial energies are systematically analyzed. The results demonstrate that the stability and interfacial bonding strength of the Ag(111)/SnO<sub>2</sub>(110)-O interface are high, exhibiting metallic properties and strong conductivity. Moreover, at an interface spacing of d<sub>0</sub> = 2.4 Å, the interface stability is optimal. The redistribution of charge at the interface induces significant changes in the local atomic density of states, particularly noticeable in the Ag and O atoms. Additionally, the Ag/SnO<sub>2</sub> interface is predominantly bonded through ionic interactions, contributing to its robust bonding.</p>","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"59 11","pages":""},"PeriodicalIF":1.5,"publicationDate":"2024-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142183597","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}
{"title":"Determination of Thermal Properties of Carbon Materials above 2000 °C for Application in High Temperature Crystal Growth","authors":"Jonas Ihle, Peter J. Wellmann","doi":"10.1002/crat.202400080","DOIUrl":"10.1002/crat.202400080","url":null,"abstract":"<p>This work reports on the determination of the heat conductivity of high temperature stable carbon materials in the temperature range well above 2000 °C where classic material characterization methods fail. Dense graphite (DG) materials as well as rigid and soft felt isolation (RFI/SFI) components have been investigated which are used during crystal growth of SiC by the physical vapor transport method (PVT) in the temperature regime of 2000 and 2400 °C. The applied materials characterization methods include low temperature physical heat conductivity measurements using laser flash analysis (LFA) in the temperature range 25–1200 °C, data extrapolation to elevated temperatures up to 2400 °C, and a correlation of heating processes and computer simulation of the temperature field of different hot zone designs. Using this approach, the calculated temperatures and experimentally determined values with an error of less than ± 2% at 2400 °C can be merged.</p>","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"60 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2024-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/crat.202400080","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141947253","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Sabah. E. Algarni, Atef F. Qasrawi, Najla. M. Khusayfan
{"title":"High Broadband Optical Absorption and Bandstop Filter Characteristics of Pb/Nb2O5 Interfaces","authors":"Sabah. E. Algarni, Atef F. Qasrawi, Najla. M. Khusayfan","doi":"10.1002/crat.202400136","DOIUrl":"10.1002/crat.202400136","url":null,"abstract":"<p>In this study, semitransparent lead films serve as substrates for depositing niobium pentoxide thin films, forming versatile electro-optical devices. Using vacuum evaporation and ion sputtering techniques at ≈10<sup>−5</sup> mbar, stacked layers of crystalline Pb and amorphous Nb<sub>2</sub>O<sub>5</sub> are created. This process reduces free carrier absorption in Nb<sub>2</sub>O<sub>5</sub> and forms Urbach tail states with a width of 0.91 eV. Pb/Nb<sub>2</sub>O<sub>5</sub> thin films exhibit remarkable broadband absorption, exceeding 440% in the visible and 98% in the infrared. Moreover, Pb substrates induce a redshift in Nb<sub>2</sub>O<sub>5</sub>’s energy bandgap. Electrical analysis using impedance spectroscopy on Pb/Nb<sub>2</sub>O<sub>5</sub>/Ag structures reveals their series/parallel resonance and bandstop filter properties. Notably, the bandstop filters exhibit reflection coefficient minima at a notch frequency of 1.66 GHz, with a bandwidth of 280 MHz, return loss of 26 dB, and voltage standing wave ratio of 1.13. These findings underscore the device's potential for wide-ranging electro-optical applications across the electromagnetic spectrum.</p>","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"59 9","pages":""},"PeriodicalIF":1.5,"publicationDate":"2024-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141947251","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}
{"title":"(Crystal Research and Technology 8/2024)","authors":"","doi":"10.1002/crat.202470039","DOIUrl":"10.1002/crat.202470039","url":null,"abstract":"<p>Cover image provided courtesy of Jianguang Zhou, Research Center for Analytical Instrumentation, Institute of Cyber-Systems and Control, State Key Laboratory of Industrial Control Technology, Zhejiang University, China.\u0000\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure></p>","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"59 8","pages":""},"PeriodicalIF":1.5,"publicationDate":"2024-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/crat.202470039","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141947252","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Yana Liu, Fangxia Zhao, Haoyi Chen, Xingfeng Tang, Zhenzhong Zhang, Chengyang Gu, Hong Chang
{"title":"Crystallization Behavior of Co-Doped Amorphous Manganese Dioxide and Its Cathode Performance for Aqueous Zinc Ion Batteries","authors":"Yana Liu, Fangxia Zhao, Haoyi Chen, Xingfeng Tang, Zhenzhong Zhang, Chengyang Gu, Hong Chang","doi":"10.1002/crat.202400029","DOIUrl":"10.1002/crat.202400029","url":null,"abstract":"<p>In order to explore the crystallization behavior of Co-doped amorphous manganese dioxide(Co-doped AMO) and to investigate the electrochemical properties of its different crystallization products as cathodes for aqueous zinc ion batteries. In this work, the effects of heat treatment temperature on the microstructure and phase composition of Co-doped AMO and their electrochemical properties of Zn-MnO<sub>2</sub> battery cathode materials are systematically investigated. The results show that Co-doping increases the crystallization temperature of pure AMO. When the heat treatment temperature is 400 °C, Co-doped AMO is amorphous. At 500 and 550 °C, part of the Co-doped AMO crystallizes into tetragonal spinel structured (Co, Mn)(Co, Mn)<sub>2</sub>O<sub>4</sub> material between MnCo<sub>2</sub>O<sub>4</sub> and Mn<sub>3</sub>O<sub>4</sub>. At 650 °C, the crystallized product is completely nano-α-Mn(Co)O<sub>2</sub> crystal. The maximum discharge specific capacities and the retention rate after 100 cycles of the samples at 100 mA g<sup>−1</sup> are 325.40 mAh g<sup>−1</sup>, 86.88%; 217.00 mAh g<sup>−1</sup>, 13.94%; 186.68 mAh g<sup>−1</sup>, 41.01%; and 149.03 mAh g<sup>−1</sup>, 31.27% for the unheated and 400, 550, 650 °C heat-treated samples, respectively. It is proved that the Co-doped AMO without heat treatment is superior to the partially or fully crystallized materials in terms of comprehensive performance and cost as cathode materials for AZIB.</p>","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"59 9","pages":""},"PeriodicalIF":1.5,"publicationDate":"2024-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141947256","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}
{"title":"Masthead: Crystal Research and Technology 8'2024","authors":"","doi":"10.1002/crat.202470040","DOIUrl":"10.1002/crat.202470040","url":null,"abstract":"","PeriodicalId":48935,"journal":{"name":"Crystal Research and Technology","volume":"59 8","pages":""},"PeriodicalIF":1.5,"publicationDate":"2024-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/crat.202470040","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141947254","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}