CrystEngComm最新文献

{"title":"Zero-dimensional cadmium halide with broad band yellow light emission for white light-emitting diodes†","authors":"Na Lin, Zhao-Yang Hu, Xin-Yue Zhang, Yu Zhang, Kai-Qi Sun, Xiao-Wu Lei, Zhihong Jing and Zhi-Wei Chen","doi":"10.1039/D4CE01174K","DOIUrl":"https://doi.org/10.1039/D4CE01174K","url":null,"abstract":"<p >Recently, low-dimensional organic–inorganic metal halide perovskites acting as white-light-emitting materials have been widely studied in the field of optoelectronics and solid-state lighting owing to their facile preparation and excellent optical characteristics. However, the luminescence efficiency and light stability of white-light-emitting diodes (WLEDs) are hindered by the re-absorption of mixing phosphors due to the difference in light decay. Herein, we report for the first time a new zero-dimensional (0D) cadmium halide of (BAPPz)Cd<small>₂</small>Br<small>₈</small>·2H<small>₂</small>O with [CdX<small>₄</small>]<small>²⁻</small> as an optically active center, which emits broadband yellow light with a PLQY of 13.78%. Significantly, (BAPPz)Cd<small>₂</small>Br<small>₈</small>·2H<small>₂</small>O could be used as a new phosphor for a white-light-emitting diode doped with a trace of blue commercial phosphor, which achieved a high color rendering index (CRI) of 93.7 and had a correlated color temperature (CCT) close to the domestic standard light source D65 (6500 K). With the driving current of the WLED device increasing from 20 mA to 120 mA, CRI values were consistently high (&gt;90). This work not only demonstrates a new orientation to fabricate light-emitting diodes with high CRI values but also highlights its potential application in the development of energy-efficient white-light-emitting diodes.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 7","pages":" 939-947"},"PeriodicalIF":2.6,"publicationDate":"2025-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143379625","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effect of particle size and coenobium on KCl and NaCl flotation kinetics","authors":"Yan Wang, Peng Chen, Tianxing Chen, Hao Yi, Ling Xia, Shaoxian Song and Feifei Jia","doi":"10.1039/D4CE00720D","DOIUrl":"https://doi.org/10.1039/D4CE00720D","url":null,"abstract":"<p >To enhance the separation of KCl and NaCl, this research investigates how particle size and potassium–sodium coenobium affect the flotation kinetics of KCl and NaCl. Pure mineral experiments reveal that both particle size and coenobium have significant influences. Specifically, as particle size increases, the difference in flotation rate between KCl and NaCl first increases and then decreases, reaching a maximum of 10.655 min<small>⁻¹</small> at 75–150 μm. Furthermore, coenobium with higher KCl content floats faster, suggesting a limited flotation time to avoid low-KCl coenobium flotation. The results were verified by actual carnallite flotation experiments. This research has guiding significance for the regulation and optimization of potassium salt production.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 4","pages":" 523-537"},"PeriodicalIF":2.6,"publicationDate":"2025-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142994069","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Top-seeded solution growth and characterization of β-Ga2O3†","authors":"Yufei Song, Xiaojie Guo, Wenxiang Mu, Xutang Tao and Zeliang Gao","doi":"10.1039/D4CE00678J","DOIUrl":"https://doi.org/10.1039/D4CE00678J","url":null,"abstract":"<p >β-Ga<small>₂</small>O<small>₃</small> is an ultra-wide bandgap semiconductor with immense potential applications in high voltage, electronic, deep-ultraviolet optoelectronic, and other devices. However, to date, the growth of bulk β-Ga<small>₂</small>O<small>₃</small> crystals has predominantly utilized melt methods, which are heavily dependent on specific growth vessels. In this work, bulk crystal β-Ga<small>₂</small>O<small>₃</small> with a size of 7 × 13 × 4 mm<small>³</small> was grown using TeO<small>₂</small>–Li<small>₂</small>CO<small>₃</small> as flux <em>via</em> a top-seeded solution growth (TSSG) method for the first time. It is noteworthy that the saturation point of β-Ga<small>₂</small>O<small>₃</small> in the flux was reduced to 1023 K, which was significantly lower than its melting point of 2073 K. The resulting β-Ga<small>₂</small>O<small>₃</small> crystal exhibited well-formed faces, predominantly the (010), (100), (0<img>1), and (1<img><img>) forms, which closely align with the ideal morphological predictions made by the Bravais–Friedel and Donnay–Harker methods. The full-width at half maximum (FWHM) of rocking curves for the (010) oriented plane was determined to be 140.4′′. This work provides a potential β-Ga<small>₂</small>O<small>₃</small> crystal growth method performed at a low temperature with little platinum loss.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 6","pages":" 814-819"},"PeriodicalIF":2.6,"publicationDate":"2024-12-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143107294","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exploration of a one-dimensional iron-based coordination polymer for enhanced lithium storage capabilities†","authors":"Jingwei Liu, Xiaolong Cheng, Shifa Dang, Weile Kong, Mengxian Zheng, Lei Zhang, Shuangyan Wu, Ning Liu and Jinchao Cao","doi":"10.1039/D4CE01082E","DOIUrl":"https://doi.org/10.1039/D4CE01082E","url":null,"abstract":"<p >Taking advantage of the high redox activity and excellent structural stability properties of coordination polymers (CPs), we have successfully prepared a one-dimensional CP, {[Fe(pyzdc)]·2H<small>₂</small>O}<small>_<em>n</em></small> (Fe-1D), by a hydrothermal method with pyrazine-2,3-dicarboxylic acid (H<small>₂</small>pyzdc) as the ligand and iron as the metal center to improve the deficiencies of organic electrode materials in terms of specific capacity and cycling stability in lithium-ion batteries (LIBs). The one-dimensional chains are connected to each other by hydrogen bonds, and a three-dimensional supramolecular network is constructed, which not only enhances the stability of the material during the charge–discharge cycle, but also promotes the rapid transport of ions by virtue of its porous structure and ordered ion channels. Consequently, Fe-1D demonstrates outstanding cycling stability, achieving a remarkable reversible capacity of 833 mAh g<small>⁻¹</small> after 300 cycles at 200 mA g<small>⁻¹</small>. Theoretical calculations further illustrate that after introducing the metal center into the ligand, Fe-1D can store 12 lithium ions, while significantly narrowing the energy gap, suggesting that Fe-1D has abundant lithium storage sites and good electrochemical activity. Both experimental and theoretical analyses underscored the pivotal role of redox-active metal–organic materials in designing high-performance anodes for rechargeable batteries.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 5","pages":" 687-694"},"PeriodicalIF":2.6,"publicationDate":"2024-12-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143107369","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing†","authors":"Wei-Hao Chen, Yen-Hsin Chen, Kedar Bahadur Thapa, Shih-Miao Liu and Jhy-Der Chen","doi":"10.1039/D4CE01119H","DOIUrl":"https://doi.org/10.1039/D4CE01119H","url":null,"abstract":"&lt;p &gt;Hydrothermal reactions of 1,4,5,8-naphthalenetetracarboxylic acid (1,4,5,8-H&lt;small&gt;&lt;sub&gt;4&lt;/sub&gt;&lt;/small&gt;NTC) with various bis-pyridyl-bis-amides, &lt;em&gt;N&lt;/em&gt;,&lt;em&gt;N&lt;/em&gt;′-di(pyridin-3-yl)adipamide (&lt;strong&gt;L&lt;/strong&gt;&lt;small&gt;&lt;sup&gt;&lt;strong&gt;1&lt;/strong&gt;&lt;/sup&gt;&lt;/small&gt;), &lt;em&gt;N&lt;/em&gt;,&lt;em&gt;N&lt;/em&gt;′-di(pyridin-3-yl)succinamide (&lt;strong&gt;L&lt;/strong&gt;&lt;small&gt;&lt;sup&gt;&lt;strong&gt;2&lt;/strong&gt;&lt;/sup&gt;&lt;/small&gt;), &lt;em&gt;N&lt;/em&gt;,&lt;em&gt;N&lt;/em&gt;′-di(pyridin-3-yl)oxalamide (&lt;strong&gt;L&lt;/strong&gt;&lt;small&gt;&lt;sup&gt;&lt;strong&gt;3&lt;/strong&gt;&lt;/sup&gt;&lt;/small&gt;) or &lt;em&gt;N&lt;/em&gt;,&lt;em&gt;N&lt;/em&gt;′-bis(pyridin-3-ylmethyl)oxalamide (&lt;strong&gt;L&lt;/strong&gt;&lt;small&gt;&lt;sup&gt;&lt;strong&gt;4&lt;/strong&gt;&lt;/sup&gt;&lt;/small&gt;) and transition metal salt afforded seven coordination polymers (CPs) and one dinuclear complex, including [Cd(&lt;strong&gt;L&lt;/strong&gt;&lt;small&gt;&lt;sup&gt;&lt;strong&gt;1&lt;/strong&gt;&lt;/sup&gt;&lt;/small&gt;)&lt;small&gt;&lt;sub&gt;0.5&lt;/sub&gt;&lt;/small&gt;(1,4,5,8-NTC′)(H&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;O)&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;]&lt;small&gt;&lt;sub&gt;&lt;em&gt;n&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt; (1,4,5,8-H&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;NTC′ = 1,4,5,8-naphthalenetetracarboxylic acid 1,8-monoanhydride), &lt;strong&gt;1&lt;/strong&gt;, {[Zn(&lt;strong&gt;L&lt;/strong&gt;&lt;small&gt;&lt;sup&gt;&lt;strong&gt;2&lt;/strong&gt;&lt;/sup&gt;&lt;/small&gt;)&lt;small&gt;&lt;sub&gt;0.5&lt;/sub&gt;&lt;/small&gt;(1,4,5,8-NTC′)(H&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;O)&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;]·H&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;O}&lt;small&gt;&lt;sub&gt;&lt;em&gt;n&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;, &lt;strong&gt;2&lt;/strong&gt;, {[Cd(&lt;strong&gt;L&lt;/strong&gt;&lt;small&gt;&lt;sup&gt;&lt;strong&gt;2&lt;/strong&gt;&lt;/sup&gt;&lt;/small&gt;)&lt;small&gt;&lt;sub&gt;0.5&lt;/sub&gt;&lt;/small&gt;(1,4,5,8-NTC′)(H&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;O)&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;]·H&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;O}&lt;small&gt;&lt;sub&gt;&lt;em&gt;n&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;, &lt;strong&gt;3&lt;/strong&gt;, {[Zn(&lt;strong&gt;L&lt;/strong&gt;&lt;small&gt;&lt;sup&gt;&lt;strong&gt;5&lt;/strong&gt;&lt;/sup&gt;&lt;/small&gt;)(1,4,5,8-NTC′)(H&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;O)]·0.5OA}&lt;small&gt;&lt;sub&gt;&lt;em&gt;n&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;, {&lt;strong&gt;L&lt;/strong&gt;&lt;small&gt;&lt;sup&gt;&lt;strong&gt;5&lt;/strong&gt;&lt;/sup&gt;&lt;/small&gt; = 2,7-di(pyridin-3-yl)benzo[&lt;em&gt;lmn&lt;/em&gt;][3,8]phenanthroline-1,3,6,8(2&lt;em&gt;H&lt;/em&gt;,7&lt;em&gt;H&lt;/em&gt;)-tetraone}, &lt;strong&gt;4&lt;/strong&gt;, [Cd(&lt;strong&gt;L&lt;/strong&gt;&lt;small&gt;&lt;sup&gt;&lt;strong&gt;5&lt;/strong&gt;&lt;/sup&gt;&lt;/small&gt;)(1,4,5,8-NTC′)(H&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;O)]&lt;small&gt;&lt;sub&gt;&lt;em&gt;n&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;, &lt;strong&gt;5a&lt;/strong&gt;, {[Cd(&lt;strong&gt;L&lt;/strong&gt;&lt;small&gt;&lt;sup&gt;&lt;strong&gt;5&lt;/strong&gt;&lt;/sup&gt;&lt;/small&gt;)(1,4,5,8-NTC′)(H&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;O)]·2H&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;O}&lt;small&gt;&lt;sub&gt;&lt;em&gt;n&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;, &lt;strong&gt;5b&lt;/strong&gt;, [Zn&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;(&lt;strong&gt;L&lt;/strong&gt;&lt;small&gt;&lt;sup&gt;&lt;strong&gt;4&lt;/strong&gt;&lt;/sup&gt;&lt;/small&gt;)(1,4,5,8-NTC′)&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;(H&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;O)&lt;small&gt;&lt;sub&gt;6&lt;/sub&gt;&lt;/small&gt;], &lt;strong&gt;6&lt;/strong&gt;, and {[Cd(&lt;strong&gt;L&lt;/strong&gt;&lt;small&gt;&lt;sup&gt;&lt;strong&gt;4&lt;/strong&gt;&lt;/sup&gt;&lt;/small&gt;)(1,4,5,8-NTC)&lt;small&gt;&lt;sub&gt;0.5&lt;/sub&gt;&lt;/small&gt;(H&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;O)]·0.5H&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;O}&lt;small&gt;&lt;sub&gt;&lt;em&gt;n&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt; (1,4,5,8-H&lt;small&gt;&lt;sub&gt;4&lt;/sub&gt;&lt;/small&gt;NTC = 1,4,5,8-naphthalenetetracarboxylic acid), &lt;strong&gt;7&lt;/strong&gt;. These CPs and the dinuclear complex were structurally characterized by using X-ray single-crystal diffraction. CPs &lt;strong&gt;1&lt;/strong&gt;, &lt;strong&gt;2&lt;/strong&gt;, and &lt;stro","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 5","pages":" 606-615"},"PeriodicalIF":2.6,"publicationDate":"2024-12-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ce/d4ce01119h?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143107393","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Helical ammonium halide framework constituting polar conglomerate crystals of 2-ethylanilinium chloride†","authors":"Shohei Tashiro","doi":"10.1039/D4CE01084A","DOIUrl":"https://doi.org/10.1039/D4CE01084A","url":null,"abstract":"<p >Crystal engineering, which periodically aligns supramolecular synthons through intermolecular interactions, is a key technology for creating a variety of functional crystalline materials such as porous, polar, chiral, and elastic/plastic crystals. Organic ammonium halides, composed of readily available amines and hydrogen halides, are typical crystalline framework motifs called long-range synthon aufbau modules. In contrast to ammonium halide frameworks such as ladder and sheet structures, chiral helical frameworks have received limited attention, despite their significant potential to exhibit useful functions owing to their unique structures. Herein, the facile synthesis of chiral and polar fibrous crystals with space group <em>P</em>3<small>₂</small> by neutralizing 2-ethylaniline with hydrogen chloride is reported. Single-crystal X-ray diffraction reveals that the resultant 2-ethylanilinium chloride formed a helical framework through consecutive hydrogen bonding between NH<small>₃</small><small>⁺</small> and Cl<small>⁻</small> moieties along the fiber axis, which presents helical arrays of 2-ethylanilinium moieties with the same handedness. The gas adsorption isotherms suggest that the crystals are essentially nonporous, whereas molecular hydrogen is slightly adsorbed. The fibrous crystals are elastic to some extent, which is consistent with the noncovalent packing of helices perpendicular to the fiber axis. Furthermore, the preparation of mixed crystals of 2-ethylaniline and other 2-substituted anilines is demonstrated. The study promotes the rational design of tunable crystalline materials based on helical frameworks of polar conglomerate fibrous crystals.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 6","pages":" 729-735"},"PeriodicalIF":2.6,"publicationDate":"2024-12-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ce/d4ce01084a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143107285","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Benzoimidazole-2-one based macrocyclic arenes: synthesis, and solvent-induced structural changes†","authors":"Fei Zeng, Lin-Li Tang, Jian-Hao Wang, Bin Sun, Man-Hua Ding and Qin-Chun Li","doi":"10.1039/D4CE01150C","DOIUrl":"https://doi.org/10.1039/D4CE01150C","url":null,"abstract":"<p >This investigation reports the synthesis of benzoimidazole-2-one based macrocyclic arenes <strong>1</strong> and <strong>2</strong> by a one-pot condensation strategy <em>via</em> nucleophilic substitution reactions. X-ray crystallographic study demonstrates that cooperative hydrogen and halogen bonds interaction can control not only the cavity size of <strong>1</strong>, but also the “tripod” and “chair” conformation of <strong>2</strong><small>.</small></p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 4","pages":" 474-477"},"PeriodicalIF":2.6,"publicationDate":"2024-12-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142994063","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Al-induced fast phase transition in vanadium oxide cathode materials for high-performance aqueous zinc-ion batteries†","authors":"Youye Dai, Xianghua Kong, Lei Wang, Yuanxiang Gu and Jun Guo","doi":"10.1039/D4CE01096E","DOIUrl":"https://doi.org/10.1039/D4CE01096E","url":null,"abstract":"<p >Herein, Al-doped V<small>₂</small>O<small>₃</small> nanoparticles were prepared <em>via</em> a sol–gel method combined with annealing treatment and applied as a cathode material for high-performance aqueous Zn-ion batteries. The doped Al acted as a pillar, effectively widening the layer spacing and significantly improving ion transport kinetics. More importantly, the presence of Al introduced additional oxygen vacancies and induced rapid structural transformation of the cathode material during the cycling process, which endowed the cathode with excellent electrochemical performance. The AlVO-0.2 cathode exhibited a highly reversible capacity of 383.5 mA h g<small>⁻¹</small> at 0.1 A g<small>⁻¹</small> and impressive cycle stability (335.2 mA h g<small>⁻¹</small> at 3 A g<small>⁻¹</small> with 95.54% capacity retention after 1000 cycles), which was superior to undoped V<small>₂</small>O<small>₃</small> nanoparticles.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 6","pages":" 801-808"},"PeriodicalIF":2.6,"publicationDate":"2024-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143107292","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Design of solvent systems for preparation of ε-CL-20 crystals with high sphericity assisted by molecular simulation†","authors":"Hongyu Wang, Guozhao Liu, Guanwen Su, Hongyuan Wei and Leping Dang","doi":"10.1039/D4CE01181C","DOIUrl":"https://doi.org/10.1039/D4CE01181C","url":null,"abstract":"<p >In this work, ε-CL-20 crystals with high sphericity, low sensitivity, and high true density were prepared in binary and ternary solvents using solvent–antisolvent recrystallization. The influence mechanisms of temperature, solvent type and solvent composition on crystal morphology were investigated through molecular dynamics simulations with modified attachment energy model. The results reveal that the crystals obtained in the ethyl acetate + chlorobenzene system at 313.15 K have the highest sphericity of 0.8630. The increase in temperature causes the crystals to become sharper. The crystals in ternary solvents retain morphological characteristics of those in the corresponding binary systems and the sphericities are between the two. In ternary systems, hydrogen bonding interactions are affected by the two antisolvents together, and van der Waals and electrostatic interactions can be influenced either by the combined effects of two antisolvents or predominantly by a single antisolvent. It is feasible to adjust interactions by changing growth environments. The temperature, solvent type and solvent composition can affect the diffusion behaviors of solvent molecules and the antisolvent molecules do not affect their mutual diffusion behaviors. This work provides valuable information for the design and optimization of the preparation process of spherical ε-CL-20 crystals.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 4","pages":" 547-558"},"PeriodicalIF":2.6,"publicationDate":"2024-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142994071","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A single-step low-cost synthesis of tungsten oxide nanostructures by resistive hot wire oxidation","authors":"Krishna KC, Santiago J. Dopico, Janak Paudel, Marvin M. Bonney, Ghusoon J. Ibrahim, Meagan Herbold, Alex J. Kingston, Shawn E. Bourdo, Fumiya Watanabe and John Nichols","doi":"10.1039/D4CE00977K","DOIUrl":"https://doi.org/10.1039/D4CE00977K","url":null,"abstract":"<p >The synthesis of metal oxide nanostructures commonly requires sophisticated scientific apparatus, complex synthesis processes, and time-inefficient processes, or produces undesirable by-products. We have overcome these challenges by developing a low-cost and time-effective synthesis technique that allows considerable control of growth energetics enabling exploration of crystal phases that occupy small regions of phase space. Here, we report on nanostructures of tungsten oxide WO<small>_2.76</small> (W<small>₁₇</small>O<small>₄₇</small>) synthesized in a single-step process, which takes roughly one minute to grow WO<small>_2.76</small> and an additional roughly 30 min for preparation. The nanostructures were synthesized directly onto tungsten filaments by resistive heating of tungsten wire in an oxygen environment. The nanostructures are rod-shaped with an average diameter of 25 ± 9 nm. Their physical properties were investigated through an arsenal of experimental probes including scanning electron microscopy, X-ray diffraction, Raman spectroscopy, transmission electron microscopy, X-ray photoelectron spectroscopy, electrochemical impedance spectroscopy, and cyclic voltammetry. The improved electrochemical performance in comparison to WO<small>₃</small> along with its large dielectric constant suggests that despite WO<small>_2.76</small> being somewhat elusive to researchers, it demonstrates the potential of this compound for functional applications such as supercapacitors and photocatalytic water splitting.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 4","pages":" 516-522"},"PeriodicalIF":2.6,"publicationDate":"2024-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142994068","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}