CrystEngComm最新文献

Optical properties of [MMim]2[CuI3] crystals with 0D single-core trigonal planar structures† 具有 0D 单核三叉平面结构的 [MMim]2[CuI3] 晶体的光学特性†。

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-11-29 DOI: 10.1039/D4CE00750F

Jiali Han, Shujun Zhu, Xinxin Chen, Haichao Zhou, Jianguo Pan and Shangke Pan

{"title":"Optical properties of [MMim]2[CuI3] crystals with 0D single-core trigonal planar structures†","authors":"Jiali Han, Shujun Zhu, Xinxin Chen, Haichao Zhou, Jianguo Pan and Shangke Pan","doi":"10.1039/D4CE00750F","DOIUrl":"https://doi.org/10.1039/D4CE00750F","url":null,"abstract":"In recent years, lead-free organic–inorganic hybrid zero-dimensional metal halides have attracted considerable attention due to their outstanding optical properties, largely attributed to the confinement of localized metal groups. We report the discovery of a newly structured [MMim]2[CuI3] crystal with a distinct [CuI3]2− trigonal planar structure encapsulated by inert organic [MMim]+ clusters. The structure, composition, and thermal stability of the crystal were analyzed using XRD and TG–DTA. The optical properties of [MMim]2[CuI3] crystals were both experimentally measured and theoretically calculated. These crystals exhibit intense broadband orange luminescence with pronounced Stokes shifts and a microsecond-scale fluorescence lifetime decay, primarily due to self-trapped exciton emission. Temperature-dependent fluorescence spectra were also recorded to explore the luminescence mechanism. In summary, these findings highlight the remarkable potential of lead-free [MMim]2[CuI3] crystals in advancing optoelectronic applications.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 1","pages":" 38-45"},"PeriodicalIF":2.6,"publicationDate":"2024-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142826032","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

High-density Nb:YTaO4 single crystals for X-ray scintillation 用于 X 射线闪烁的高密度 Nb:YTaO4 单晶体

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-11-27 DOI: 10.1039/D4CE00848K

Yueshen Zhou, Dongsheng Yuan, Encarnación G. Víllora, Daisuke Nakauchi, Takumi Kato, Noriaki Kawaguchi, Takayuki Yanagida and Kiyoshi Shimamura

{"title":"High-density Nb:YTaO4 single crystals for X-ray scintillation","authors":"Yueshen Zhou, Dongsheng Yuan, Encarnación G. Víllora, Daisuke Nakauchi, Takumi Kato, Noriaki Kawaguchi, Takayuki Yanagida and Kiyoshi Shimamura","doi":"10.1039/D4CE00848K","DOIUrl":"https://doi.org/10.1039/D4CE00848K","url":null,"abstract":"Environmental-friendly alternatives to the commercial scintillator CdWO4, which contains the toxic element Cd, are highly desired. As potential candidates, in this work, the scintillation characteristics of Nb:YTaO4 transparent single-crystals grown from melt by the floating-zone technique are studied. It is found that the broad UV luminescence of YTaO4 can be turned into a broad visible one by the partial substitution of Ta with only 2% Nb. Therefore, Nb incorporation promotes a better spectral matching to Si-photodiode detectors while the high stopping power of YTaO4 is kept, being close to that of commercial CdWO4. The scintillation properties of pure YTaO4, with a light yield of 15 900 ph MeV−1 and an afterglow of 0.008% after 40 ms, are comparable to those of CdWO4. The light yield weighed with a Si-photodiode reaches maximum values for 0.5 & 1% Nb:YTaO4 crystals. An improvement in optical properties is expected by the growth of higher quality crystals by a flux-technique in the future.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 1","pages":" 81-89"},"PeriodicalIF":2.6,"publicationDate":"2024-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142826035","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

Upconversion luminescence and temperature sensing of NaLuF4:Yb/Er/Tm microcrystals at low temperatures

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-11-22 DOI: 10.1039/D4CE00922C

Zhaojin Wang, Xinyi Xu, Wei Gao, Jin Hou, Tian Zhang, Xin Zhao, Zijie Li and Siyi Di

{"title":"Upconversion luminescence and temperature sensing of NaLuF4:Yb/Er/Tm microcrystals at low temperatures","authors":"Zhaojin Wang, Xinyi Xu, Wei Gao, Jin Hou, Tian Zhang, Xin Zhao, Zijie Li and Siyi Di","doi":"10.1039/D4CE00922C","DOIUrl":"https://doi.org/10.1039/D4CE00922C","url":null,"abstract":"In this study, Yb/Er/Tm-doped NaLuF4 luminescent microcrystals were synthesised hydrothermally. Then, the upconversion spectra of these microcrystals at low temperatures (5–303 K) were investigated, and their potential for temperature sensing assessed. As the temperature decreased, the intensity of the emission peak correspondingly increased. However, the emission peak at 520 nm was not readily discernible at temperatures below 160 K. The kinetic process of luminescence decay typically increased with decreasing temperature. Furthermore, the emission peak at 539 nm exhibited a pronounced sensitivity to variations in temperature. The system's temperature-sensing capabilities, which rely on both thermally and non-thermally coupled energy states, were evaluated in low- (160–280 K) and high-temperature (333–493 K) ranges. At the lower end of the temperature scale (160 K), the maximum value of relative sensitivity was 4.29% K−1, which was 4–5 times higher than that at high temperatures. These findings demonstrate the significant potential of the material for temperature-sensing applications and introduce a novel concept for such uses.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 48","pages":" 6852-6860"},"PeriodicalIF":2.6,"publicationDate":"2024-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142798138","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

Variations in crystals of flufenamic acid of its methyl and tert-butyl analogues as impurities as determined by partial dissolutions†

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-11-22 DOI: 10.1039/D4CE01032A

Timothy Bourke, Renato A. Chiarella and Humphrey A. Moynihan

{"title":"Variations in crystals of flufenamic acid of its methyl and tert-butyl analogues as impurities as determined by partial dissolutions†","authors":"Timothy Bourke, Renato A. Chiarella and Humphrey A. Moynihan","doi":"10.1039/D4CE01032A","DOIUrl":"https://doi.org/10.1039/D4CE01032A","url":null,"abstract":"Achieving specified levels of impurities is one the key goals of crystallisation processes in manufacturing. The mode of impurity incorporation and the variation of impurity levels throughout crystal batches are key factors affecting the performance of crystallisations in terms of achieving purity specifications. Evaluation of the distribution of impurities in crystals of flufenamic acid (FFA) using a controlled partial dissolution approach is described. 2-(3-Tolylamino)benzoic acid (MeFA) and 2-((3-(tert-butyl)phenyl)amino)benzoic acid (tBuFA), analogues of FFA in which the trifluoromethyl group has been replaced by a methyl group or by a tert-butyl group respectively, were selected as the impurities. Thermal analysis suggests formation of a solid solution between FFA and MeFA isostructural to FFA form III. The stepwise dissolution approach was initially demonstrated on samples of pure FFA crystals and was then extended to evaluate the distribution of levels of MeFA and tBuFA impurities. The impurity levels are shown as varying with dissolution midpoint. Stepwise dissolution was usefully applied to FFA crystal of various morphologies, while for crystals with extremely needle-like morphology, a segmentation analysis approach was more practical. The work presented outlines a method for evaluating the distribution of impurities in crystalline materials using commonly available analytical and particle sizing methods.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 48","pages":" 6837-6843"},"PeriodicalIF":2.6,"publicationDate":"2024-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142798136","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 3D composite materials based on ultrathin LDH nanowalls grown in situ on graphene surface and fast-response NO2 gas sensing performance at room temperature†

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-11-22 DOI: 10.1039/D4CE00773E

Changhe Guo, Chong Lin, Fangjie Qin, Yuanchao Wu, Rui Zhang, Li Li and Keying Shi

{"title":"Synthesis of 3D composite materials based on ultrathin LDH nanowalls grown in situ on graphene surface and fast-response NO2 gas sensing performance at room temperature†","authors":"Changhe Guo, Chong Lin, Fangjie Qin, Yuanchao Wu, Rui Zhang, Li Li and Keying Shi","doi":"10.1039/D4CE00773E","DOIUrl":"https://doi.org/10.1039/D4CE00773E","url":null,"abstract":"To enhance the gas sensing response performance of LDH materials, this study employed a hydrothermal synthesis method using sodium citrate as an inducer and urea as a precipitant. Graphene with excellent conductivity was used as a substrate. By controlling the solution's alkalinity, sheet-like NiFe-LDHs were successfully induced and assembled on the ultra-thin graphene surface. SEM and AFM characterizations confirmed that the flower-ball morphology of the LDHs, formed by the aggregation of nanosheets, created ultra-thin nanosheets of 6–8 nm that fully covered both sides of the 3–4 nm GO, rendering the material highly porous and well ordered (specific surface area of 111.39 m2 g−1). At ambient temperature (RH = 26%), the sample NF/rGO2 with 0.12 g of sodium citrate exhibited extremely high sensitivity and rapid response to 100 ppm NO2, with a response value and response/recovery time of 22.30 and 2.8/46 s, respectively. Moreover, the sensor demonstrated high selectivity and remarkable long-term stability for up to 100 days. The superior gas sensing performance can be attributed to the unique morphology of the composite material: the inhibited growth of LDHs on the graphene surface exposed numerous basic sites between layers, enhancing NO2 adsorption capability. Additionally, the staggered and orderly arrangement of ultra-thin LDHs significantly improved the electron transport rate. Therefore, the response/recovery time of the gas sensing material was considerably shortened, enhancing the gas sensing performance of the material. This study provides a novel approach for the preparation and synthesis of high-sensitivity and high-performance NO2 sensors at room temperature.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 48","pages":" 6828-6836"},"PeriodicalIF":2.6,"publicationDate":"2024-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142798135","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

Dynamic manipulation of upconversion luminescence by constructing metal–organic framework and lanthanide-doped nanoparticle composites† 通过构建金属有机框架和掺杂镧系元素的纳米粒子复合材料动态控制上转换发光†。

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-11-21 DOI: 10.1039/D4CE00932K

Huiwen Yan, Wenqian Cao, Zhiyu Wang, Yuanjing Cui and Guodong Qian

{"title":"Dynamic manipulation of upconversion luminescence by constructing metal–organic framework and lanthanide-doped nanoparticle composites†","authors":"Huiwen Yan, Wenqian Cao, Zhiyu Wang, Yuanjing Cui and Guodong Qian","doi":"10.1039/D4CE00932K","DOIUrl":"https://doi.org/10.1039/D4CE00932K","url":null,"abstract":"The dynamic manipulation of multi-photon upconversion, enabling rich and tunable emission colors, has generated significant interest in lanthanide-doped upconversion nanoparticles (UCNPs) about their fundamental research and frontier applications. However, manipulating photochromic upconversion emissions towards luminescent color tuning (LCT) of a single UCNP emitter without tedious endogenous regulation remains a challenging endeavor. In this study, NaYF4@NaYF4:x%Yb, 2%Er (X = 60, 80 and 98) was incorporated with UiO-66-type metal–organic frameworks (MOFs, including UiO-66, UiO-66-NDC, UiO-66-NH2) by a simple and versatile in situ synthesis method. The UCNPs are combined with MOFs in a monodisperse state, and the stability of the composites is improved compared to UCNPs alone. Effective modulation of the upconversion luminescence (UCL) properties of UCNPs was achieved by exploiting the chemical bonds with high-energy vibrations in MOFs, which facilitates the multi-phonon relaxation (MPR) processes of Er3+. Our findings enable versatile designs and dynamic control of emission colors from luminescent materials, opening up new opportunities for their advanced photonic applications, notably in optical anti-counterfeiting.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 1","pages":" 22-29"},"PeriodicalIF":2.6,"publicationDate":"2024-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142826030","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

Charting the salt–cocrystal continuum of acid–base multicomponent crystals with hybrid density functional theory†

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-11-21 DOI: 10.1039/D4CE00903G

Kristof M. Bal and Alain Collas

引用次数: 0

Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates† (E)-2-(蒽-9-亚甲基)-N-(芳基)肼硫代甲酰胺的位置异构体、锌络合物和多晶型溶胶†。

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-11-21 DOI: 10.1039/D4CE00992D

Jitendra Nath and Jubaraj B. Baruah

{"title":"Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates†","authors":"Jitendra Nath and Jubaraj B. Baruah","doi":"10.1039/D4CE00992D","DOIUrl":"https://doi.org/10.1039/D4CE00992D","url":null,"abstract":"The synthesis, energy calculation and analysis of the weak interactions of two sets of positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, one set with aryl = 3-OCH3- or 4-OCH3-phenyl and the other with aryl = 2,3 or 3,4-dichlorophenyl, were carried out. The nature of substituent/s and their positions in the rings rendered large differences in the angle between the anthracenyl and aryl planes at the distal ends. The respective bis-chelated zinc complexes of these positional isomers had a see-saw geometry. There was one dimethylformamide (DMF) molecule of crystallisation in the zinc complex of the bis-chelated 3-methoxyphenyl containing ligand, but a similar zinc complex with a 4-methoxyphenyl containing ligand had three DMF molecules per complex, due to the packing differences contributed through interplay of weak interactions. The zinc complex of the 2,3-dichloroaryl derived ligand had chloroform as a solvent crystallisation molecule and it showed two polymorphs of the chloroform solvated complex. One of the solvate polymorphs had intermolecular association with chloroform, it lost crystallinity very easily. Meanwhile, the other polymorphic solvate had intra-molecular hydrogen bonded chloroform molecules, crystals of this polymorph were stable enough to be characterized by several spectroscopic tools. The stable polymorph had S⋯π interactions forming a dimeric assembly. A similar zinc complex of the 3,4-dichloro-aryl group derived ligand had extensive stacking among the anthracenyl units in the lattice. It accommodated chloroform molecules of crystallization embedded in the lattice.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 1","pages":" 46-54"},"PeriodicalIF":2.6,"publicationDate":"2024-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142826033","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

Optimization of carbon transport and growth rates in top-seeded solution growth of Al-doped SiC 优化掺铝碳化硅顶籽溶液生长过程中的碳传输和生长速率

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-11-21 DOI: 10.1039/D4CE00931B

Zhouyu Tong, Xuefeng Han, Yuanchao Huang, Binjie Xu, Yanwei Yang, Deren Yang and Xiaodong Pi

{"title":"Optimization of carbon transport and growth rates in top-seeded solution growth of Al-doped SiC","authors":"Zhouyu Tong, Xuefeng Han, Yuanchao Huang, Binjie Xu, Yanwei Yang, Deren Yang and Xiaodong Pi","doi":"10.1039/D4CE00931B","DOIUrl":"https://doi.org/10.1039/D4CE00931B","url":null,"abstract":"The top-seeded solution growth (TSSG) method is an emerging technique for the production of silicon carbide (SiC). Due to its advantage of lower growth temperature compared to the physical vapor transport method, it holds significant potential in the preparation of Al-doped SiC. In this study, a global numerical model calculating heat and mass transfer was established to investigate the impact of solution radius and height, coil position, and rotational speed of the seed crystal on the flow pattern and carbon transport. The results indicated that a meticulous determination of these growth parameters could enhance both carbon transport and growth rate. Furthermore, abundant transient calculation results were utilized to train back-propagation (BP) neural networks to extract the correlation between growth parameters, growth rate, and Al concentration. The optimal parameters were ultimately obtained using the non-dominated sorting genetic algorithm (NSGA-II). The Al concentration calculated in the solution under the optimal growth conditions demonstrated that the evaporation of Al was sufficiently low to satisfy the p-type doping requirement. This study provides valuable insights for the future development of a TSSG system tailored for the rapid growth of Al-doped SiC.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 1","pages":" 90-101"},"PeriodicalIF":2.6,"publicationDate":"2024-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142826038","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

Thiadiazole-based 3D covalent organic framework for efficient anhydrous proton conduction† 基于噻二唑的三维共价有机框架实现高效无水质子传导†。

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-11-20 DOI: 10.1039/D4CE00995A

Yaoyao Pan, Zhen Shan, Ziya Liu, Jian Su and Gen Zhang

引用次数: 0