CrystEngComm最新文献_第8页

Mutual polymorphic transformation of CsMgPO4·6H2O induced by solution pH†

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-12-16 DOI: 10.1039/D4CE01086H

Sheng Lv, Liangcheng Song, Hongyan Cui, Yanling Xu, Chongqiang Zhu and Chunhui Yang

{"title":"Mutual polymorphic transformation of CsMgPO4·6H2O induced by solution pH†","authors":"Sheng Lv, Liangcheng Song, Hongyan Cui, Yanling Xu, Chongqiang Zhu and Chunhui Yang","doi":"10.1039/D4CE01086H","DOIUrl":"https://doi.org/10.1039/D4CE01086H","url":null,"abstract":"This work compares the relative stability of the two forms of CsMgPO4·6H2O from theoretical and experimental approaches. The results show that the cubic form is more stable as it has a higher decomposition temperature and heat compared with the hexagonal form and also a larger lattice energy. However, the hexagonal form is more stable in solution within the pH range of 7.00–9.35 while the cubic form is more stable within the pH range of 9.35–11.00 according to the experimental solubility data. The intersection phenomenon of solubility curves is attributed to the pH regulation which changed the configuration of PO43− affecting the effective concentration of each crystal form. Based on the solubility curves of the two forms, the mutual polymorphic transformation of CsMgPO4·6H2O induced by the solution pH was predicted and confirmed experimentally. The mechanism turned out to be the solution-mediated transformation and the rate-determining step was determined to be the growth of the stable crystal form. The parameter of solution pH had a great impact on the stability of the two forms and deduced the mutual polymorphic transformation of CsMgPO4·6H2O, which may serve as a good reference for polymorphic compounds.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 5","pages":" 653-660"},"PeriodicalIF":2.6,"publicationDate":"2024-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143107365","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

Deformation behavior and yield strength prediction of [112] oriented NbMoTaW refractory high entropy alloy nanowires†

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-12-16 DOI: 10.1039/D4CE00984C

Taozhi Tian, Tao Fu, Mengye Duan, Hao Hu, Chuanying Li, Xiang Chen and Xianghe Peng

{"title":"Deformation behavior and yield strength prediction of [112] oriented NbMoTaW refractory high entropy alloy nanowires†","authors":"Taozhi Tian, Tao Fu, Mengye Duan, Hao Hu, Chuanying Li, Xiang Chen and Xianghe Peng","doi":"10.1039/D4CE00984C","DOIUrl":"https://doi.org/10.1039/D4CE00984C","url":null,"abstract":"Refractory high entropy alloys (RHEAs) have garnered widespread attention due to their potential applications at extremely high temperatures. However, accurately predicting the mechanical properties of these materials is challenging due to the complex slip systems in body-centered cubic (BCC) metals. In this work, the tensile behaviors of NbMoTaW RHEA single crystalline nanowires with various radii under tensile deformation were investigated using molecular dynamics simulations, focusing on their deformation behavior, mechanical response, and size-dependent effects. The results revealed a transition in yield stress from the Hall–Petch relation to the inverse Hall–Petch relation with the decrease of the nanowire radius. The primary deformation mechanism observed was the nucleation and glide of dislocation from the surface. A thermal activation-based theoretical model was developed for determining the yield stress, incorporating stacking fault energy and surface energy as pivotal parameters. This model could effectively predict the yield stress of the RHEA in the inverse Hall–Petch stage and exhibit significant potential in predicting the mechanical properties of other BCC metals.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 5","pages":" 596-605"},"PeriodicalIF":2.6,"publicationDate":"2024-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143107392","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

Elucidating trends in synthesis and structural periodicity in a series of tetravalent actinide–oxo hexamers† 阐明一系列四价锕-氧六聚体的合成趋势和结构周期性

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-12-13 DOI: 10.1039/D4CE01042F

Thomas L. McCusker, Nicole A. Vanagas, Jennifer E. S. Szymanowski, Robert G. Surbella, Jeffery A. Bertke, Ana Arteaga and Karah E. Knope

{"title":"Elucidating trends in synthesis and structural periodicity in a series of tetravalent actinide–oxo hexamers†","authors":"Thomas L. McCusker, Nicole A. Vanagas, Jennifer E. S. Szymanowski, Robert G. Surbella, Jeffery A. Bertke, Ana Arteaga and Karah E. Knope","doi":"10.1039/D4CE01042F","DOIUrl":"https://doi.org/10.1039/D4CE01042F","url":null,"abstract":"Metal ion hydrolysis and condensation reactions are critical to describing the chemical behavior of the tetravalent actinides (An) due to their high charge density. This recognition has fueled synthetic efforts targeting polynuclear actinide–oxo clusters. Oligomers ranging from trimers to octatriacontamers have been reported, with the hexameric unit, which typically exhibits a [An6(OH)4O4]12+ core, representing the most pervasive cluster. Hexamers decorated by a range of ligands, including carboxylates, sulfates, and chlorides, have been described. Previous reports have demonstrated the formation of hexamers for Th, U, Np, and Pu both in solution and the solid state, yet little work has focused on the synthesis and properties of structurally analogous clusters across the early An series using the same complexing ligand. Here, a series of benzoate (Bz) decorated actinide–oxo/hydroxo hexamers of the same general formula [An6O4(OH)4(Bz)12(H2O)n], where An = Th, U, Np, Pu and n = 6 for Th and 4 for U–Pu is reported. The title compounds were characterized by X-ray diffraction, UV-vis–NIR absorbance, Raman, and infrared spectroscopy. Notably isolation of these phases and elucidation of the parameters that underpin their formation provides insight into the ways differences in metal ion charge density manifest across the early tetravalent actinides, both in their synthetic and structural chemistry.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 4","pages":" 507-515"},"PeriodicalIF":2.6,"publicationDate":"2024-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ce/d4ce01042f?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142994067","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

A dual-emission fluorescence sensor based on TCPP@UiO-66-NH2 for high-sensitivity detection of copper ions† 一种基于TCPP@UiO-66-NH2的双发射荧光传感器，用于高灵敏度检测铜离子†

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-12-13 DOI: 10.1039/D4CE01017E

Jia-qi Du, Du-wei Lin, Wen-yi Chen, Qian Sun and En-qing Gao

{"title":"A dual-emission fluorescence sensor based on TCPP@UiO-66-NH2 for high-sensitivity detection of copper ions†","authors":"Jia-qi Du, Du-wei Lin, Wen-yi Chen, Qian Sun and En-qing Gao","doi":"10.1039/D4CE01017E","DOIUrl":"https://doi.org/10.1039/D4CE01017E","url":null,"abstract":"Copper ions are a significant concern to people's health and wine quality. By adopting a “one-pot” approach, tetra(4-carboxyphenyl)porphyrin (TCPP) molecules were integrated into UiO-66-NH2 metal–organic frameworks, forming TCPP@UiO-66-NH2 dual-emission fluorescence sensing platform towards copper ions. The blue fluorescence of UiO-66-NH2 at 466 nm was deemed an internal reference signal; thus, the built-in corrections in the complex were effectively achieved. The red emission fluorescence of TCPP at 654 nm was quenched by Cu2+, resulting in a reliable signal and noticeable color changes. A quick and sensitive ratio fluorescence sensor was constructed with the signal contrast mechanism. This sensor enabled trace detection of Cu2+ within the concentration range of 0–10 nM, with a detection limit as low as 24 nM, and exhibited good anti-interference capability and cycling stability. Further spiking-recovery experiments demonstrated excellent detection performance and analytical reliability of the sensor in water and red wine samples.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 4","pages":" 488-496"},"PeriodicalIF":2.6,"publicationDate":"2024-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142994065","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

Three-phase reversible mechanochemical interconversion of hydrogen-bonded melamine : barbiturate co-crystals: from rosette to linear tape polymorphs† 氢键三聚氰胺的三相可逆机械化学相互转化：巴比妥酸盐共晶体：从玫瑰结到线性带多晶型†

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-12-12 DOI: 10.1039/D4CE01230E

Inês C. B. Martins, Ana M. Belenguer, Giulio I. Lampronti and Petr Motloch

引用次数: 0

Correction: Revealing the supramolecular features of two Zn(ii) complexes derived from a new hydrazone ligand: a combined crystallographic, theoretical and antibacterial study 更正：揭示两种锌（ii）配合物的超分子特征，源自一种新的腙配体：结合晶体学，理论和抗菌研究

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-12-11 DOI: 10.1039/D4CE90158D

Samit Pramanik, Anowar Hossain, Sudipta Pathak, Sougata Ghosh Chowdhury, Parimal Karmakar, Antonio Frontera and Subrata Mukhopadhyay

引用次数: 0

Mechanical-force-induced thermochromic-to-photochromic conversion of a coupled Schiff base hinged via a biphenyl moiety† 机械力诱导的通过联苯部分铰接的耦合希夫碱热致变色到光致变色的转化

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-12-11 DOI: 10.1039/D4CE01027B

Koichiro Omasa, Isao Yoshikawa and Hirohiko Houjou

引用次数: 0

Correction: Influence of cobalt on the performance of Pt/CeO2 for CO-PROX at low temperature: reducing the energy of the Pt–O–Ce bond 更正：钴对低温下CO-PROX的Pt/CeO2性能的影响：降低Pt - o - ce键的能量

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-12-11 DOI: 10.1039/D4CE90151G

Ao Xu, Jing Zhang, Chunhua Yang, Jinxiao Li, Rensheng Song, Yue Zhao, Yulong Liu, Minghui Lian and Liwei Pan

引用次数: 0

Rapid co-reduction synthesis of ultrafine multi-principal element alloy nanocatalysts for efficient hydrogen evolution† 用于高效析氢的超细多主元素合金纳米催化剂的快速共还原合成

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-12-10 DOI: 10.1039/D4CE01108B

Yongjun Jiang, Yuankai Zhu, Yanyan Jia and Sheng Dai

引用次数: 0

Effect of carbon-based carriers on HER performance of NiMo-based polyalloy catalysts†

IF 2.6 3区化学

CrystEngComm Pub Date : 2024-12-10 DOI: 10.1039/D4CE01090F

Guixin Zhao, Sixuan Zhang, Jinzhao Huang, Zehui Liu, Feng Jiao, Ke Zhang, Yu Zhang and Xiaolong Deng

{"title":"Effect of carbon-based carriers on HER performance of NiMo-based polyalloy catalysts†","authors":"Guixin Zhao, Sixuan Zhang, Jinzhao Huang, Zehui Liu, Feng Jiao, Ke Zhang, Yu Zhang and Xiaolong Deng","doi":"10.1039/D4CE01090F","DOIUrl":"https://doi.org/10.1039/D4CE01090F","url":null,"abstract":"NiMo-based polyalloy catalysts are non-precious metal-based high-entropy alloy catalysts that have been extensively studied in recent years. They exhibit superior electrochemical performance in electrocatalytic water splitting for hydrogen production, and the combination of NiMo-based polyalloy catalysts with carbon black substrates is expected to produce better electrochemical supports. In this paper, we prepared a series of carbon-based high-entropy heterogeneous material catalysts using zero-dimensional carbon black, one-dimensional carbon nanotubes and two-dimensional graphene as substrates, respectively. Analytical results through the structural characterization of the synthesized materials as well as electrochemical tests revealed that carbon black, which is in the form of nanoparticles, can be more tightly wrapped with Ni shells compared to tubular nanotubes and flake graphene, which can effectively increase the number of active sites, thus promoting the outstanding performance of the zero-dimensional carbon-based transition metal nanomaterial catalysts NiMoCoMnLa/CB@Ni in the alkaline electrocatalytic hydrogen precipitation reaction. Driven by these findings, this work may provide new ideas for the pathway of rationally designing zero-dimensional carbon-based high-entropy alloy nanoparticle catalysts as efficient electrocatalysts in green hydrogen production processes.","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 5","pages":" 634-643"},"PeriodicalIF":2.6,"publicationDate":"2024-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143107363","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