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Advances in boron nitride nanostructures: from h-BN to BN nanotubes and quantum dots for energy applications 氮化硼纳米结构的进展:从氢氮化硼到氮化硼纳米管和用于能源应用的量子点
IF 2.6 3区 化学
CrystEngComm Pub Date : 2025-08-01 DOI: 10.1039/D5CE00675A
Ankita Yadav, Mukesh Kumar and Ashutosh Sharma
{"title":"Advances in boron nitride nanostructures: from h-BN to BN nanotubes and quantum dots for energy applications","authors":"Ankita Yadav, Mukesh Kumar and Ashutosh Sharma","doi":"10.1039/D5CE00675A","DOIUrl":"https://doi.org/10.1039/D5CE00675A","url":null,"abstract":"<p >Traditional boron nitride (BN) is a resistant refractory compound of boron and nitrogen with various crystalline forms. BN is isoelectronic to carbon and hence exists in the same way that carbon exists in graphite in the hexagonal phase. The hexagonal form, corresponding to graphite, is used as a lubricant and additive in cosmetic products because of its high stability and limpness. Even through physical and chemical modification, h-BN shows tunable properties that make it interesting for application in energy conversion and storage devices. Their excellent stability and environmentally friendly nature make BN-derived materials particularly suitable for green energy applications. Various predominant technologies are available to satisfy the zero emissions of CO<small><sub>2</sub></small> but still face many challenges such as poor safety, limited cycle life, and low efficiency. h-BN is attractive due to its mechanical strength, chemical inertness, and extraordinary thermal stability, which appear to meet some challenges faced by energy storage devices. This review provides an overview of functional properties, energy-related applications, and future challenges in the advancement of BN materials.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 38","pages":" 6250-6273"},"PeriodicalIF":2.6,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145184023","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}
引用次数: 0
Tailored nanoporous composite of a bimetallic Zn-based MOF featuring two rare-metal geometries for organic dye sequestration: a mechanistic and kinetic insight into wastewater remediation 定制的双金属锌基MOF纳米孔复合材料,具有两种稀有金属几何形状,用于有机染料隔离:废水修复的机制和动力学见解
IF 2.6 3区 化学
CrystEngComm Pub Date : 2025-07-31 DOI: 10.1039/D5CE00684H
Mohd Zeeshan, Mohammad Yasir Khan, M. Shahid, Mohammad Khalid Parvez and Xiang Li
{"title":"Tailored nanoporous composite of a bimetallic Zn-based MOF featuring two rare-metal geometries for organic dye sequestration: a mechanistic and kinetic insight into wastewater remediation","authors":"Mohd Zeeshan, Mohammad Yasir Khan, M. Shahid, Mohammad Khalid Parvez and Xiang Li","doi":"10.1039/D5CE00684H","DOIUrl":"https://doi.org/10.1039/D5CE00684H","url":null,"abstract":"<p >In the relentless pursuit of next-generation materials for sustainable water purification, we report the synthesis of a novel metal organic framework <em>i.e.</em>, {(Me<small><sub>2</sub></small>NH<small><sub>2</sub></small>)<small><sub>2</sub></small>[Zn<small><sub>3</sub></small>(tpa)<small><sub>4</sub></small>](DMF·3H<small><sub>2</sub></small>O)}<small><sub><em>n</em></sub></small> (<strong>ZS-4</strong>) synthesized using terephthalic acid (H<small><sub>2</sub></small>TPA). This framework elegantly integrates two crystallographically distinct zinc coordination environments (tetrahedral and octahedral), leading to an unusual and noteworthy outcome of (3,6)-connected <em>bcg</em> and <em>bct</em> topologies. To further enhance its functional attributes, a hybrid composite, <strong>ZS-4@CNT</strong>, was engineered by integrating carbon nanotubes (CNTs) into the pristine <strong>ZS-4</strong> matrix, resulting in notable improvements in physicochemical performance. Characterization was performed using FTIR, TGA, PXRD, SEM, TEM, BET, and XPS which substantiated the structural integrity, thermal robustness, morphological uniformity, and surface chemistry of both materials. BET analysis revealed surface areas of 923.49 m<small><sup>2</sup></small> g<small><sup>−1</sup></small> for <strong>ZS-4</strong> and 1200.30 m<small><sup>2</sup></small> g<small><sup>−1</sup></small> for <strong>ZS-4@CNT</strong>. The BJH pore size distribution displayed narrow peaks at 5.2 nm and 5.5 nm, respectively, confirming enhanced mesoporosity in the composite. XPS data revealed peaks at 284.6 eV (C–C/C<img>C), 286.0 eV (C–O/C–OH), and 288.5 eV (O–C<img>O) in the C 1s spectrum. The O 1s region showed peaks at 531.8 eV (C<img>O) and 533.0 eV (C–OH). Zn 2p peaks at 1022.8 eV and 1042.7 eV confirmed the presence of Zn<small><sup>2+</sup></small>. The <strong>ZS-4@CNT</strong> composite demonstrated a remarkable dye removal performance within the first 20 minutes, achieving 66% removal efficiency for methylene blue (MB). In comparison, under the same pH and temperature conditions, the removal efficiency for methyl orange (MO) was notably lower at 36.3%. The adsorption capacities were evaluated using MB and MO as model pollutants, where <strong>ZS-4</strong> demonstrated uptakes of 72.35 mg g<small><sup>−1</sup></small> for MB and 42.23 mg g<small><sup>−1</sup></small> for MO, while <strong>ZS-4@CNT</strong> exhibited significant adsorption capacities of about 114.45 mg g<small><sup>−1</sup></small> for MB and 43.15 mg g<small><sup>−1</sup></small> for MO. Kinetic modeling adhered to a pseudo-second order framework, indicating chemisorption as the prevailing mechanism.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 36","pages":" 5989-6008"},"PeriodicalIF":2.6,"publicationDate":"2025-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145057491","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}
引用次数: 0
Microfluidic femtosecond laser-induced nucleation of supersaturated aqueous d-serine solutions 超饱和d-丝氨酸水溶液的微流控飞秒激光诱导成核
IF 2.6 3区 化学
CrystEngComm Pub Date : 2025-07-31 DOI: 10.1039/D5CE00481K
Liye Yang, Yoichiroh Hosokawa, Yuka Tsuri, Ming Li, Shaokoon Cheng and Yaxiaer Yalikun
{"title":"Microfluidic femtosecond laser-induced nucleation of supersaturated aqueous d-serine solutions","authors":"Liye Yang, Yoichiroh Hosokawa, Yuka Tsuri, Ming Li, Shaokoon Cheng and Yaxiaer Yalikun","doi":"10.1039/D5CE00481K","DOIUrl":"https://doi.org/10.1039/D5CE00481K","url":null,"abstract":"<p >Crystallization plays a pivotal role in pharmaceutical manufacturing, yet conventional techniques often lack spatial and temporal control over nucleation, particularly for challenging molecules like amino acids. In this study, we present a microfluidic crystallization platform integrated with femtosecond laser irradiation to induce and regulate nucleation in supersaturated aqueous <small>D</small>-serine solutions. Through systematic screening of supersaturation levels, laser pulse energy, repetition rate, and flow rate, we demonstrate that crystal formation requires the synergistic action of confined flow and localized photomechanical stimulation. Neither microfluidic flow nor femtosecond laser irradiation alone was sufficient to initiate nucleation, while their combination enabled reproducible crystal generation. Notably, moderate supersaturation (<em>σ</em> = 0.059) and lower energy or flow conditions yielded larger, well-defined crystals, whereas increased laser intensity, repetition rate, or flow rate enhanced nucleation but suppressed crystal growth. These findings offer new insight into crystallization dynamics under ultrafast excitation and establish a tunable strategy for amino acid crystallization, with potential applications in solid form screening and drug development.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 36","pages":" 6056-6064"},"PeriodicalIF":2.6,"publicationDate":"2025-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145057554","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}
引用次数: 0
Numerical analysis on the thermal stress and dislocation density of a 300 mm SiC single crystal grown by the PVT method PVT法生长300 mm SiC单晶的热应力和位错密度的数值分析
IF 2.6 3区 化学
CrystEngComm Pub Date : 2025-07-31 DOI: 10.1039/D5CE00471C
Sheng'ou Lu, Binjie Xu, Lingling Xuan, Anqi Wang, Pengyang Chen, Fan Wang, Xiaodong Pi, Deren Yang and Xuefeng Han
{"title":"Numerical analysis on the thermal stress and dislocation density of a 300 mm SiC single crystal grown by the PVT method","authors":"Sheng'ou Lu, Binjie Xu, Lingling Xuan, Anqi Wang, Pengyang Chen, Fan Wang, Xiaodong Pi, Deren Yang and Xuefeng Han","doi":"10.1039/D5CE00471C","DOIUrl":"https://doi.org/10.1039/D5CE00471C","url":null,"abstract":"<p >The expansion of the diameter of a SiC single crystal to 300 mm represents a significant milestone in the technological development of SiC crystal growth. However, growing a 300 mm SiC crystal with the method of physical vapor transport (PVT) poses substantial challenges primarily owing to thermal stress and dislocation multiplication, both of which are intrinsically related to crystal quality. This study employs numerical simulations to investigate thermal stress, resolved shear stress (RSS) on the basal and prismatic planes, and the density of basal plane dislocations (BPDs) in a 300 mm SiC single crystal. Key factors such as the off-axis growth, high-temperature creep, and thermal stress relaxation are considered with comparison to those for a 200 mm SiC single crystal. The results indicate that prismatic slip and BPD density in a 300 mm SiC single crystal further increases.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 36","pages":" 6019-6029"},"PeriodicalIF":2.6,"publicationDate":"2025-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145057551","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}
引用次数: 0
Synthesis of nano perovskite rare earth metal oxide LaxFeyOz particles and their catalysis effects on the thermal decomposition of ammonium perchlorate (AP) 纳米钙钛矿型稀土金属氧化物LaxFeyOz颗粒的合成及其对高氯酸铵热分解的催化作用
IF 2.6 3区 化学
CrystEngComm Pub Date : 2025-07-30 DOI: 10.1039/D5CE00540J
Hongyang Li, Ruiling Xie, Hong Li, Shentao Zeng, Qing Cai, Sujun Shi, Wenqi Xu, Ran Wang, Cui Luo and Ying Liu
{"title":"Synthesis of nano perovskite rare earth metal oxide LaxFeyOz particles and their catalysis effects on the thermal decomposition of ammonium perchlorate (AP)","authors":"Hongyang Li, Ruiling Xie, Hong Li, Shentao Zeng, Qing Cai, Sujun Shi, Wenqi Xu, Ran Wang, Cui Luo and Ying Liu","doi":"10.1039/D5CE00540J","DOIUrl":"https://doi.org/10.1039/D5CE00540J","url":null,"abstract":"&lt;p &gt;Aimed at the relatively little research on the thermal decomposition performance of AP with nano perovskite rare earth metal oxide catalysts, the influence of different calcination temperatures on the catalysis behavior of nano La&lt;small&gt;&lt;sub&gt;&lt;em&gt;x&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;Fe&lt;small&gt;&lt;sub&gt;&lt;em&gt;y&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;O&lt;small&gt;&lt;sub&gt;&lt;em&gt;z&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt; on AP decomposition and ignition and combustion performance of AP/Al composite fuels was investigated. La&lt;small&gt;&lt;sub&gt;&lt;em&gt;x&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;Fe&lt;small&gt;&lt;sub&gt;&lt;em&gt;y&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;O&lt;small&gt;&lt;sub&gt;&lt;em&gt;z&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt; perovskite-type nano-oxide particles with different microstructures prepared with the sol–gel methodand calcined at 400 °C, 500 °C, 600 °C, and 700 °C were designated as La&lt;small&gt;&lt;sub&gt;&lt;em&gt;x&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;Fe&lt;small&gt;&lt;sub&gt;&lt;em&gt;y&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;O&lt;small&gt;&lt;sub&gt;&lt;em&gt;z&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;-1, La&lt;small&gt;&lt;sub&gt;&lt;em&gt;x&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;Fe&lt;small&gt;&lt;sub&gt;&lt;em&gt;y&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;O&lt;small&gt;&lt;sub&gt;&lt;em&gt;z&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;-2, La&lt;small&gt;&lt;sub&gt;&lt;em&gt;x&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;Fe&lt;small&gt;&lt;sub&gt;&lt;em&gt;y&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;O&lt;small&gt;&lt;sub&gt;&lt;em&gt;z&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;-3, and La&lt;small&gt;&lt;sub&gt;&lt;em&gt;x&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;Fe&lt;small&gt;&lt;sub&gt;&lt;em&gt;y&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;O&lt;small&gt;&lt;sub&gt;&lt;em&gt;z&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;-4 respectively. The structural characteristics, catalytic behavior on the thermal decomposition of ammonium perchlorate (AP), and the effects of adding La&lt;small&gt;&lt;sub&gt;&lt;em&gt;x&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;Fe&lt;small&gt;&lt;sub&gt;&lt;em&gt;y&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;O&lt;small&gt;&lt;sub&gt;&lt;em&gt;z&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;-1 perovskite-type nano-oxides on the ignition and combustion of AP + Al composite fuel were investigated for its optimized catalytic performance of AP. The results show that under the catalysis of LaFeO&lt;small&gt;&lt;sub&gt;3&lt;/sub&gt;&lt;/small&gt; particles produced at varying calcination temperatures, the peak temperatures for the exothermic decomposition of AP decreased by 109.50 °C, 86.29 °C, 82.92 °C, and 80.82 °C, while the total exothermic heat output increased by 375.77 J g&lt;small&gt;&lt;sup&gt;−1&lt;/sup&gt;&lt;/small&gt;, 314.65 J g&lt;small&gt;&lt;sup&gt;−1&lt;/sup&gt;&lt;/small&gt;, 459.61 J g&lt;small&gt;&lt;sup&gt;−1&lt;/sup&gt;&lt;/small&gt;, and 386.83 J g&lt;small&gt;&lt;sup&gt;−1&lt;/sup&gt;&lt;/small&gt; respectively. The maximum decomposition rates occurred at 343.86 °C, 364.78 °C, 370.26 °C, and 372.88 °C, corresponding to rates of 37% min&lt;small&gt;&lt;sup&gt;−1&lt;/sup&gt;&lt;/small&gt;, 26% min&lt;small&gt;&lt;sup&gt;−1&lt;/sup&gt;&lt;/small&gt;, 22% min&lt;small&gt;&lt;sup&gt;−1&lt;/sup&gt;&lt;/small&gt;, and 28% min&lt;small&gt;&lt;sup&gt;−1&lt;/sup&gt;&lt;/small&gt;. As the content of the nano La&lt;small&gt;&lt;sub&gt;&lt;em&gt;x&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;Fe&lt;small&gt;&lt;sub&gt;&lt;em&gt;y&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;O&lt;small&gt;&lt;sub&gt;&lt;em&gt;z&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;-1 particles in the La&lt;small&gt;&lt;sub&gt;&lt;em&gt;x&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;Fe&lt;small&gt;&lt;sub&gt;&lt;em&gt;y&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;O&lt;small&gt;&lt;sub&gt;&lt;em&gt;z&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;-1/AP/Al composite fuel increased from 0.5 wt% to 1 wt% and then 2 wt%, the ignition delay times decreased sequentially to 103 ms, 90 ms, and 80 ms, shorter than the AP/Al composite fuel by 29 ms, 42 ms, and 52 ms, representing reductions of 21.9%, 31.8%, and 39.3%. When the content of the nano La&lt;small&gt;&lt;sub&gt;&lt;em&gt;x&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;Fe&lt;small&gt;&lt;sub&gt;&lt;em&gt;y&lt;/","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 33","pages":" 5633-5643"},"PeriodicalIF":2.6,"publicationDate":"2025-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144868566","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}
引用次数: 0
Influence of the crystallisation approach on multicomponent systems of palmatine chloride 结晶方法对氯化巴马汀多组分体系的影响
IF 2.6 3区 化学
CrystEngComm Pub Date : 2025-07-30 DOI: 10.1039/D5CE00441A
Anuja Venkata Sai Durga Surampudi, Sai Ram Prasad, Debasish Swain, Yarasi Soujanya, Sistla Ramakrishna and Sridhar Balasubramanian
{"title":"Influence of the crystallisation approach on multicomponent systems of palmatine chloride","authors":"Anuja Venkata Sai Durga Surampudi, Sai Ram Prasad, Debasish Swain, Yarasi Soujanya, Sistla Ramakrishna and Sridhar Balasubramanian","doi":"10.1039/D5CE00441A","DOIUrl":"https://doi.org/10.1039/D5CE00441A","url":null,"abstract":"<p >Cocrystallization and salt formation are effective approaches to alter a drug's physicochemical properties. By understanding the hydrogen bond strategies involved in synthon formation, a multicomponent system can be designed and developed. In the current study, palmatine chloride (PLT-Cl) was cocrystallized with coformers like gallic acid (GAL), gentisic acid (GEN) and pamoic acid (PAM), which contain carboxylic acid and hydroxyl groups in their structures. PLT-Cl is an isoquinoline alkaloid containing a quaternary ammonium cation and a chloride anion. GAL and PAM replaced the chloride ion from the crystal lattice and formed a salt with PLT. Therefore, hydrogen bonds like O–H⋯O and C–H⋯O interactions were predominantly seen in the crystal structure. GEN exists as a neutral molecule and retains the chloride ion in the crystal lattice, leading to the formation of intermolecular interactions with PLT-Cl. The C–H⋯Cl<small><sup>−</sup></small>, C–H⋯O, O–H⋯Cl<small><sup>−</sup></small> and O–H⋯O hydrogen bond interactions aided in constructing the three-dimensional crystal structure of PLT–GEN. By developing new multicomponent systems with GAL, GEN and PAM, this study attempts to understand the circumstances which contribute to the formation of new salts with or without the Cl ion in the crystal lattice. The implementation of coformers (GAL/GEN/PAM) in the PLT-Cl crystal structure has reduced the solubility of PLT-Cl and exhibits a slow drug release profile.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 35","pages":" 5901-5917"},"PeriodicalIF":2.6,"publicationDate":"2025-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145007871","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}
引用次数: 0
Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides 压缩砷⋯卤素仲键:砷(iii)氧化物插层与卤化铵的高压结构研究
IF 2.6 3区 化学
CrystEngComm Pub Date : 2025-07-29 DOI: 10.1039/D5CE00593K
Piotr A. Guńka, Sofija Milos, Martin Ende, Frederico Alabarse, Ronald Miletich and Kamil F. Dziubek
{"title":"Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","authors":"Piotr A. Guńka, Sofija Milos, Martin Ende, Frederico Alabarse, Ronald Miletich and Kamil F. Dziubek","doi":"10.1039/D5CE00593K","DOIUrl":"https://doi.org/10.1039/D5CE00593K","url":null,"abstract":"<p >Crystal structures of arsenic(<small>III</small>) oxide intercalation compounds with ammonium chloride (NH<small><sub>4</sub></small>Cl·As<small><sub>2</sub></small>O<small><sub>3</sub></small>·<small><sup>1</sup></small>/<small><sub>2</sub></small>H<small><sub>2</sub></small>O), ammonium bromide (NH<small><sub>4</sub></small>Br·2As<small><sub>2</sub></small>O<small><sub>3</sub></small>), and ammonium iodide (NH<small><sub>4</sub></small>I·2As<small><sub>2</sub></small>O<small><sub>3</sub></small>) have been determined under high pressure up to 12, 15 and 11 GPa, respectively. No phase transitions have been observed for the investigated compounds. The compression of arsenic⋯halogen secondary bonds, expressed as penetration indices of the bonds, has been shown to be a linear function of unit-cell volume ratio <em>V</em>/<em>V</em><small><sub>0</sub></small>, where <em>V</em><small><sub>0</sub></small> is the unit-cell volume at ambient pressure, with similar slopes as the compression of arsenic⋯oxygen secondary bonds. The behavior of the arsenic coordination number, expressed as a first-order valence entropy coordination number, at high pressures and the stereoactivity of arsenic lone electron pairs in the studied intercalates are the same as in arsenic(<small>III</small>) oxide polymorphs – the former decreases linearly with <em>V</em>/<em>V</em><small><sub>0</sub></small>, while the latter remains unchanged. The high-pressure study lends further support to the fact that the nature of arsenic⋯halogen and arsenic⋯oxygen secondary bonds is the same.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 36","pages":" 5983-5988"},"PeriodicalIF":2.6,"publicationDate":"2025-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ce/d5ce00593k?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145057490","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}
引用次数: 0
Precise deuterium content measurement of K(HxD1−x)2PO4 crystals based on deep-UV generation 基于深紫外生成的K(HxD1−x)2PO4晶体氘含量的精确测量
IF 2.6 3区 化学
CrystEngComm Pub Date : 2025-07-29 DOI: 10.1039/D5CE00610D
Yiqun Shi, Zijian Cui, Junze Xu, Mingying Sun, Xiuqing Jiang, Li Yin, Xinglong Xie, De'an Liu and Jianqiang Zhu
{"title":"Precise deuterium content measurement of K(HxD1−x)2PO4 crystals based on deep-UV generation","authors":"Yiqun Shi, Zijian Cui, Junze Xu, Mingying Sun, Xiuqing Jiang, Li Yin, Xinglong Xie, De'an Liu and Jianqiang Zhu","doi":"10.1039/D5CE00610D","DOIUrl":"https://doi.org/10.1039/D5CE00610D","url":null,"abstract":"<p >Large-diameter K(H<small><sub><em>x</em></sub></small>D<small><sub>1−<em>x</em></sub></small>)<small><sub>2</sub></small>PO<small><sub>4</sub></small> (DKDP) crystals have been widely applied for optical parametric chirped pulse amplification and broadband UV generation in superintense ultrafast lasers and inertial confinement fusion facilities. Herein, we systematically investigated the noncritical phase-matching wavelength properties of KDP-family crystals at room temperature and demonstrated a precise characterization method for the deuterium contents of large-diameter DKDP crystals based on the ∼245 and ∼215 nm deep-UV sum-frequency generation (SFG). This SFG measurement method overcomes the low accuracy disadvantage of the Raman spectroscopy, especially for the DKDP crystals with deuterium contents of &gt;90%. Full-range (0–100%) measurement with a precision of ∼0.148% cm was achieved, which is an enhancement of more than one order of magnitude over conventional spectroscopic schemes. This work not only has the potential to be a standard method for the deuterium content characterization of DKDP crystals, but also paves the way for energy improvement and applications of tunable deep-UV radiation by fully utilizing large-diameter characteristics of KDP-family crystals.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 35","pages":" 5881-5888"},"PeriodicalIF":2.6,"publicationDate":"2025-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145007857","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}
引用次数: 0
Crystallographic insights into structural isomerism of recent atomically precise metal nanoclusters 最近原子级精密金属纳米团簇结构同分异构的晶体学见解
IF 2.6 3区 化学
CrystEngComm Pub Date : 2025-07-29 DOI: 10.1039/D5CE00651A
Jian-Hong Liao, Michael N. Pillay and C. W. Liu
{"title":"Crystallographic insights into structural isomerism of recent atomically precise metal nanoclusters","authors":"Jian-Hong Liao, Michael N. Pillay and C. W. Liu","doi":"10.1039/D5CE00651A","DOIUrl":"https://doi.org/10.1039/D5CE00651A","url":null,"abstract":"<p >This review focuses on isomerism in metal nanoclusters, where clusters with identical or closely related compositions adopt distinct atomic arrangements. We classify these into structural isomers, which share the same metal and ligand formula, and quasi-isomers, which retain metal nuclearity and ligand count but differ in ligand identity. Recent examples involving gold, silver, copper, and heterometallic clusters are discussed, highlighting how minor structural variations influence symmetry, electronic properties, and functionality.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 33","pages":" 5571-5582"},"PeriodicalIF":2.6,"publicationDate":"2025-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144868559","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}
引用次数: 0
Revealing the effects of polymeric additive coupling supersaturation on the formation mechanism of l-tryptophan spherulites 揭示了聚合物添加剂偶联过饱和对l-色氨酸球粒形成机理的影响
IF 2.6 3区 化学
CrystEngComm Pub Date : 2025-07-28 DOI: 10.1039/D5CE00167F
Fujian Li, Min Li, Zhibo Zhu, Yuan Liu and Dandan Han
{"title":"Revealing the effects of polymeric additive coupling supersaturation on the formation mechanism of l-tryptophan spherulites","authors":"Fujian Li, Min Li, Zhibo Zhu, Yuan Liu and Dandan Han","doi":"10.1039/D5CE00167F","DOIUrl":"https://doi.org/10.1039/D5CE00167F","url":null,"abstract":"<p > <small>L</small>-Tryptophan, an essential amino acid for protein synthesis and neurotransmitter regulation, tends to crystallize in flake crystals in the crystallization process, resulting in difficulty in processability and poor product quality. Faced with this challenge, in this work, the approach of spherulite growth induced by the polymeric additive was applied to form spherulites of <small>L</small>-tryptophan with effectively improved powder properties. In detail, <small>L</small>-tryptophan spherulites were fabricated through cooling crystallization under the effect of hydroxypropyl methylcellulose (HPMC). Then, the formation mechanism of <small>L</small>-tryptophan spherulites was analyzed based on the results of experiments and molecular simulations. Besides, the effect of supersaturation coupling additive concentration on the morphology of <small>L</small>-tryptophan spherulites was investigated. It turns out that the formation of <small>L</small>-tryptophan spherulites follows the classical non-crystallographic branching for spherulitic growth, in which HPMC preferentially adsorbs on the (001) face of <small>L</small>-tryptophan to introduce stress triggering the branching. Furthermore, the tap density of the prepared <small>L</small>-tryptophan spherulites was improved and nearly 4 times that of the <small>L</small>-tryptophan flake crystals, and the angle of repose of the <small>L</small>-tryptophan flake crystals was 46°, while the angle of repose of <small>L</small>-tryptophan spherulites was 29°, exhibiting improved flowability for the post-processing. To sum up, this study provides a feasible method for the manufacture of <small>L</small>-tryptophan crystals with good product quality, as well as making efforts to reveal the mechanism of spherulitic growth, which may provide new insight into the structure design of organic crystals.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 35","pages":" 5869-5880"},"PeriodicalIF":2.6,"publicationDate":"2025-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145007866","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}
引用次数: 0
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