{"title":"Diffracting crystals of an intrinsically disordered protein (IDP) AtPP16-1 grown in 1.3 V cm−1 DC field","authors":"Noorul Huda, Halavath Ramesh, Abani K. Bhuyan","doi":"10.1016/j.jcrysgro.2024.127959","DOIUrl":"10.1016/j.jcrysgro.2024.127959","url":null,"abstract":"<div><div>DC electric field as weak as ∼1.3 V cm<sup>−1</sup> induces crystal nucleation in very dilute protein solutions lacking precipitant. The basis of such growth is the microscopic model of interaction of protein dipoles with the Stark field, leading to glass-like amorphous aggregation and reconfiguration of the aggregates for crystal nucleation. This modest approach is very different from an earlier and rather ‘aggressive’ one in which electric field of ∼1 kV or orders of magnitude in excess is used to influence charge migration in a highly concentrated protein solution having precipitant confined to the crystallization drop. As an application of the precipitant-lacking ultralow protein method, the present work seeks the assistance of internally supplied 1.3 V cm<sup>−1</sup> DC field to crystallize an intrinsically disordered protein (IDP) called <em>At</em>PP16-1 in a 0.017 mg mL<sup>−1</sup> solution. Crystallization is allowed in cuvette cells of spectrometers with online electric field, enabling measurement of real time changes in spectral features. The average crystal size increases with the time of passage of the electric field, from ∼0.042 at 10 min to 0.165 µm at the end of 300 min. The cubic crystals diffract electron and X-ray. Electron diffraction spot indexing yields lattice spacing <em>d<sub>hkl</sub></em> ∼ 2.85 Å, consistent with 2.88 Å found from powder X-ray diffraction analysis. This level of lattice spacing will correspond to moderately resolved crystal structure of the IDP.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"649 ","pages":"Article 127959"},"PeriodicalIF":1.7,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142537057","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":"Investigation of the effect of the flow rate of coolant on the kinetics of carbon dioxide hydrate growth using sigmoidal growth model","authors":"Shaghayegh Jahangiri, Fashad Varaminian","doi":"10.1016/j.jcrysgro.2024.127960","DOIUrl":"10.1016/j.jcrysgro.2024.127960","url":null,"abstract":"<div><div>Relaxation time plays a crucial role in studying reaction kinetics and other processes. This study addresses the importance of relaxation time and suggests methods to minimize it. In this article, we adjust the relaxation time by extracting heat from the hydrate formation process through variations in the flow rate of the cooling fluid. It has been demonstrated that heat transfer plays a dominant role in this process. The kinetics of carbon dioxide hydrate growth were evaluated by increasing the flow rate of cooling fluid using modified sigmoidal growth curve equations, including Logistics and Gompertz. It was conducted a nonlinear least-squares regression analysis to fit sigmoidal functions to the cumulative formation curves of hydrate generated from gas uptake in the static reactor over time. The percentage of error between A<sub>real</sub> and A<sub>model</sub> shows that the Gompertz model with Q = 14.59 Lit/min at T = 276 K and Q = 20.25 Lit/min at T = 277 K is the best model for predicting the maximum consumption capacity of CO<sub>2</sub>. The results also showed that increasing the cooling fluid’s flow rate reduces relaxation time at any temperature. Moreover, increasing the flow rate of the cooling fluid decreased the average relaxation time by 2 % to 60 % at T = 276 K and by 7 % to 22 % at T = 277 K compared to the lowest investigated flow rate. Additionally, reducing the experimental temperature while keeping the flow rate of the cooling fluid constant led to a reduction in the relaxation time.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"649 ","pages":"Article 127960"},"PeriodicalIF":1.7,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142552961","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":"Application of continuous stirring tank reactor for controllable synthesis of Cu7S4 nanocrystals","authors":"Zengmin Tang , Meng Chen , Yukun Tang , Jingjing Du , Lijian Xu","doi":"10.1016/j.jcrysgro.2024.127967","DOIUrl":"10.1016/j.jcrysgro.2024.127967","url":null,"abstract":"<div><div>As a typical model for a chemical reactor in industry, the continuous stirring tank reactor has been widely used in waste-water treatment, industrial catalysis, and biological fermentation as well as great application prospects in the synthesis of nanomaterials. In this report, a convenient lab-scale continuous stirring tank reactor was assembled and utilized to synthesize Cu<sub>7</sub>S<sub>4</sub> nanocrystals by injecting cupric bromide and sulfur solution in the presence of ascorbic acid and polyethyleneimine at 60 °C. The morphology control of Cu<sub>7</sub>S<sub>4</sub> nanocrystals was accomplished by simply adjusting the agitation speed. Cu<sub>7</sub>S<sub>4</sub> nanofibers with an average diameter of 48 ± 4.42 nm and a length of several micrometers were obtained at 80 rpm. Cu<sub>7</sub>S<sub>4</sub> nanoplates with a thickness of 89 ± 13.56 nm and a plane size of 103 ± 16.47 nm were synthesized at 90 rpm, and the size of the nanoplates was regulated by continuously increasing the agitation speed from 90 rpm to 1000 rpm. Furthermore, the influences of two additional conditions (the mean residence time and the concentration of the feed solution) on the morphology of Cu<sub>7</sub>S<sub>4</sub> nanocrystals, were also investigated. Therefore, these results could facilitate the understanding of the behaviors of CSTR in the synthesis of Cu<sub>7</sub>S<sub>4</sub> nanocrystals and could also provide an important reference for the continuous synthesis of other nanoparticles.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"649 ","pages":"Article 127967"},"PeriodicalIF":1.7,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142537025","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":"SAT solver-driven approach for validating local electron counting rule","authors":"Tetsuji Kuboyama , Akira Kusaba","doi":"10.1016/j.jcrysgro.2024.127927","DOIUrl":"10.1016/j.jcrysgro.2024.127927","url":null,"abstract":"<div><div>Determining large, complex surface structures is essential for understanding and modeling crystal growth. For semiconductor surfaces, the electron counting (EC) rule is known to be useful for predicting surface stability. In this study, a scheme is proposed to automatically determine if a sampled surface structure locally satisfies the EC rule using a Boolean Satisfiability Problem (SAT) solver. This automatic determination is demonstrated on the GaN(0001)-(6 × 6) surface system with H and Ga adsorption as an example. The scheme is also applicable to the automatic generation of surface structures that are expected to be relatively stable, and is expected to accelerate the study of large and complex surface structures of various semiconductor materials.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"650 ","pages":"Article 127927"},"PeriodicalIF":1.7,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652412","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}
X.D. Song , X.L. He , H.Y. Song , W.D. Zhao , J.F. Tong , W.Y. Wu , H.T. Zhou , J.L. Wang , Y.B. Zuo , C.L. Zhang
{"title":"Fabrication of hydrothermal PPKTP and its spontaneous parametric down-conversion characteristics","authors":"X.D. Song , X.L. He , H.Y. Song , W.D. Zhao , J.F. Tong , W.Y. Wu , H.T. Zhou , J.L. Wang , Y.B. Zuo , C.L. Zhang","doi":"10.1016/j.jcrysgro.2024.127968","DOIUrl":"10.1016/j.jcrysgro.2024.127968","url":null,"abstract":"<div><div>High-voltage electric field polarization, selective corrosion, current monitoring, and other methods are used to develop hydrothermal PPKTP. It is found that the reversal domain nucleation of hydrothermal-grown KTP crystals has four kinds of microscopic morphology, namely, strip shape, spindle shape, bullet shape and irregular shape, in the process of high voltage electric field polarization. Compared with the leakage current in the process of polarization of flux-grown KTP crystals, the hydrothermal-grown KTP crystals only exist when the applied electric field is much larger than the coercive field. The leakage current can be suppressed by multiple loading of short pulses, and the PPKTP with a poled period of 10 μm and 46 μm were fabricated, respectively. Subsequently, based on the fabricated PPKTP, the SPDC characteristics are studied. To the PPKTP with a poled period of 10 μm, the quantum entanglement source whose brightness exceeds 2.1 kHz @ 810 nm is prepared by the SPDC technique. Otherwise, the PPKTP with a poled period of 46 μm is used for SPDC, and the brightness of entangled photon pairs in channel 1 and channel 2 are 3.21 kHz @ 1560 nm and 5.31 kHz @ 1560 nm, respectively.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"650 ","pages":"Article 127968"},"PeriodicalIF":1.7,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652460","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}
{"title":"Distribution of Eu and Er in Ca9RE(PO4)7 phosphors analyzed by anomalous X-ray scattering","authors":"K. Hiraoka , R. Yamane , M. Tokuda , K. Sugiyama","doi":"10.1016/j.jcrysgro.2024.127955","DOIUrl":"10.1016/j.jcrysgro.2024.127955","url":null,"abstract":"<div><div>The structures of Ca<sub>9</sub>Eu(PO<sub>4</sub>)<sub>7</sub> and Ca<sub>9</sub>Er(PO<sub>4</sub>)<sub>7</sub> phosphors were analyzed using single-crystal X-ray diffraction. Most Eu ions reside at the medium-sized M1 and M2 sites, with a small amount occupying the M5 site. In contrast, the smaller Er ions favor the smallest M5 site. This study also demonstrates the use of anomalous X-ray scattering measurements at the Er <em>L</em><sub>III</sub> and Er <em>L</em><sub>III</sub>-edges. The energy dependencies observed in the scattering factors for Ca<sub>9</sub>Eu(PO<sub>4</sub>)<sub>7</sub> and Ca<sub>9</sub>Er(PO<sub>4</sub>)<sub>7</sub> confirmed the preferred distribution of Eu and Er. Because this anomalous X-ray scattering method leverages the unique anomalous dispersion terms of each element, this advanced technique, coupled with a synchrotron radiation source, is suggested to be a powerful method for distinguishing near-neighbor rare-earth elements in solid-state phosphors.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"650 ","pages":"Article 127955"},"PeriodicalIF":1.7,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652043","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}
Kangpyo Lee , Suhyun Park , Kyunghwan Jung , In Yong Moon , Jeong Ho Ryu , Kang Min Kim
{"title":"Enhanced performance of polydimethylsiloxane-based triboelectric nanogenerator using BaTiO3/MWCNTs","authors":"Kangpyo Lee , Suhyun Park , Kyunghwan Jung , In Yong Moon , Jeong Ho Ryu , Kang Min Kim","doi":"10.1016/j.jcrysgro.2024.127952","DOIUrl":"10.1016/j.jcrysgro.2024.127952","url":null,"abstract":"<div><div>Triboelectric nanogenerators (TENGs) that operate in the contact-separation mode are widely utilized for energy harvesting owing to their simple structure, excellent durability, and high energy-conversion efficiency. This study investigated the enhanced performance of TENGs using polydimethylsiloxane (PDMS) incorporating barium titanate (BTO) and multiwalled carbon nanotubes (MWCNTs). The negative triboelectric layer, comprising PDMS with BTO and MWCNTs, and aluminum foil as both the positive triboelectric layer and electrode, were optimized to improve the TENG performance. The optimal composition of PDMS incorporating 0.01 wt% MWCNTs and 10 wt% BTO yielded output voltage and current of 394.75 V and 28.24 µA, respectively. Further enhancement was realized via the application of radio frequency plasma treatment, which increased the surface roughness and fluorine incorporation. Consequently, the output voltage and current improved to 421.06 V and 32.33 µA, respectively, with a peak power density of 4.76 W/m<sup>2</sup> at 10 MΩ. The optimized TENG maintained consistent performance over 2000 cycles and successfully illuminated commercial LEDs, thereby demonstrating its potential for practical energy-harvesting applications.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"649 ","pages":"Article 127952"},"PeriodicalIF":1.7,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142537023","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}
Haiyan Wang , Zeqi Lin , Binhao Qin , Yupeng Zhang
{"title":"Enhancing two-dimensional growth of high-temperature AlN buffer to improve the quality of GaN on Si grown by ex situ two-step method","authors":"Haiyan Wang , Zeqi Lin , Binhao Qin , Yupeng Zhang","doi":"10.1016/j.jcrysgro.2024.127958","DOIUrl":"10.1016/j.jcrysgro.2024.127958","url":null,"abstract":"<div><div>GaN epitaxial films were grown on Si substrates by <em>ex situ</em> two-step method combining the technologies of pulsed laser deposition (PLD) and metal organic chemical vapor deposition (MOCVD). The N/Al ratio of high-temperature AlN (HT-AlN) buffer layer was optimized, and its influence on the HT-AlN growth mode as well as the quality of GaN epitaxial films was investigated. When the N/Al ratio was 500, the two-dimensional growth of HT-AlN was greatly enhanced, and it obtained a coalesced and smooth surface with the minimum RMS surface roughness as 1.63 nm. The as-grown GaN epitaxial film had the best crystalline quality with the minimum full-width at half maximums of GaN(0002) and GaN(10 <span><math><mrow><mover><mrow><mn>1</mn></mrow><mrow><mo>¯</mo></mrow></mover></mrow></math></span> 2) as 0.14° and 0.22°, respectively. Owing to the high energy of PLD, the <em>ex situ</em> low-temperature AlN template had an abrupt Si/AlN interface and flat surface, which was of significance to improve the quality of HT-AlN buffer and GaN film.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"649 ","pages":"Article 127958"},"PeriodicalIF":1.7,"publicationDate":"2024-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142535706","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}
Y. Kodama , T. Kawamata , S. Imashuku , K. Sugiyama , T. Mikouchi
{"title":"Fine structural analysis of red beryl from Utah, USA using anomalous X-ray scattering","authors":"Y. Kodama , T. Kawamata , S. Imashuku , K. Sugiyama , T. Mikouchi","doi":"10.1016/j.jcrysgro.2024.127943","DOIUrl":"10.1016/j.jcrysgro.2024.127943","url":null,"abstract":"<div><div>The fine structure of red beryl from Utah, USA was analyzed using anomalous X-ray scattering measurements at the Fe <em>K</em>-absorption edge. The resultant Fe distribution map indicated the presence of Fe at the octahedral site. Ordinary single-crystal X-ray diffraction indicated that alkali cations were located in the interstitial area produced by the six-membered ring of SiO<sub>4,</sub> as well as partial substitution at the parent octahedral Al site by cations such as those of Fe, Mn, and Mg. X-ray near-edge absorption structural analysis for Mn and Fe indicated that they existed predominantly in the trivalent state as Mn<sup>3+</sup> and Fe<sup>3+</sup>, respectively. Based on the results obtained from electron probe microanalysis and laser-induced breakdown spectroscopy, the structural formula of red beryl from Utah, USA was concluded to be (Na<sub>0.006</sub>K<sub>0.019</sub>Rb<sub>0.009</sub>Cs<sub>0.009</sub>)Be<sub>3</sub> (Al<sub>1.797</sub>Fe<sub>0.140</sub>Mn<sub>0.036</sub>Mg<sub>0.015</sub>Zn<sub>0.011</sub>)Si<sub>6</sub>O<sub>18</sub>.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"650 ","pages":"Article 127943"},"PeriodicalIF":1.7,"publicationDate":"2024-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652458","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":"Growth of copper single crystal using cone die Czochralski method","authors":"Kazuya Takahashi , Tsuyoshi Kumagai , Marilou Cadatal-Raduban , Nobuhiko Sarukura , Toru Kawamata , Kazumasa Sugiyama , Tsuguo Fukuda","doi":"10.1016/j.jcrysgro.2024.127957","DOIUrl":"10.1016/j.jcrysgro.2024.127957","url":null,"abstract":"<div><div>Copper (Cu) and other metal single crystals are useful as substrates for the deposition of atomic layer materials for many electronic applications, but the growth of large-sized single crystals is difficult to achieve. Characteristics of the metal material, namely seed elongation and intense cooling radiation at high temperatures during crystal growth, are the main challenges encountered when growing ingots with large diameters. These problems can be resolved by optimizing the crystal growth parameters. By adjusting the shoulder formation angle of the ingot shape to approximately 20° to 40°, we are able to grow a large (1-inch diameter, 30 mm length) single crystal of metal Cu using the Czochralski (CZ) method. However, the generation of suspended solids and film impurities such as reactants and precipitates and their nucleation, growth, and solidification, limited the further increase in size of the Cu crystal. Using the cone-shape die CZ (CD-CZ) method solves this problem and a 2-inch diameter Cu single crystal is successfully grown. This is the world’s largest single crystal metal grown using this method and it paves the way for the growth of other metal crystals.</div></div>","PeriodicalId":353,"journal":{"name":"Journal of Crystal Growth","volume":"649 ","pages":"Article 127957"},"PeriodicalIF":1.7,"publicationDate":"2024-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142537026","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}