CrystEngCommPub Date : 2024-10-12DOI: 10.1039/D4CE00724G
Ting Liang, Jiwen Zhou, Junjie Ren and Shuai Tan
{"title":"Lamellar conducting channels constructed by lyotropic liquid crystals as quasi-solid-state electrolytes toward dye-sensitized solar cells†","authors":"Ting Liang, Jiwen Zhou, Junjie Ren and Shuai Tan","doi":"10.1039/D4CE00724G","DOIUrl":"https://doi.org/10.1039/D4CE00724G","url":null,"abstract":"<p >Developing high-performance electrolytes combining high efficiency and durability remains challenging for energy devices. Herein, lyotropic liquid crystal (LLC) electrolytes (Brij58-LLC<small><sub><em>n</em></sub></small>) were designed for <em>quasi</em>-solid-state dye-sensitized solar cells (DSSCs) based on commercially available polyethylene glycol-20-hexadecyl ether (Brij58) in combination with different weight contents (30%, 40%, and 50%) of a liquid electrolyte (LE). The liquid crystal behavior, molecular arrangement, electrochemical performance, and DSSC performance of Brij58-LLC<small><sub><em>n</em></sub></small> were investigated. Self-assembly of Brij58 and a LE formed a lamellar phase with a focal conic texture. The LE was concentrated to construct layered conducting channels and these channels were expanded by increasing the LE, which was beneficial for charge transfer. The best ionic conductivity of 9.01 mS cm<small><sup>−1</sup></small> was achieved by Brij58-LLC<small><sub>50</sub></small>. DSSCs containing Brij58-LLC<small><sub><em>n</em></sub></small> exhibited promising photovoltaic performance and satisfactory thermal stability. The introduction of commercial Brij58 has extended the path of constructing ‘liquid’ channels in lyotropic liquid crystals for enhancing the performance of energy devices, which provides new ideas for the development of electrolytes in advanced energy devices.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 45","pages":" 6403-6409"},"PeriodicalIF":2.6,"publicationDate":"2024-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142664411","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}
CrystEngCommPub Date : 2024-10-11DOI: 10.1039/D4CE00629A
Roman Gajda, Sławomir Podsiadło, Cezariusz Jastrzębski, Piotr Dłużewski and Krzysztof Woźniak
{"title":"Sn3S4: a new mixed-valence tin sulfide†","authors":"Roman Gajda, Sławomir Podsiadło, Cezariusz Jastrzębski, Piotr Dłużewski and Krzysztof Woźniak","doi":"10.1039/D4CE00629A","DOIUrl":"https://doi.org/10.1039/D4CE00629A","url":null,"abstract":"<p >Single crystals of Sn<small><sub>3</sub></small>S<small><sub>4</sub></small> of about 0.1 mm in linear size were synthesized by using the method of chemical vapour transport catalyzed by Ag<small><sub>2</sub></small>S. The crystal structure of this new mixed-valence tin sulfide was established using single-crystal X-ray diffraction. The crystal has a regular <em>Fd</em><img><em>m</em> space group symmetry with the unit cell parameter <em>a</em> = 10.5018(1) Å and eight Sn<small><sub>3</sub></small>S<small><sub>4</sub></small> formula units in the unit cell. Two types of Sn atoms are present in the structure of Sn<small><sub>3</sub></small>S<small><sub>4</sub></small>. They differ by the number of coordinated S atoms. Integration of atomic basins revealed that the charge at Sn atoms with the octahedral arrangement is +1.27e, and that at the tetrahedral is +1.54e. The sulfur atom has an integrated charge equal to −1.02e. Transmission electron microscopy images show ideal matching with the X-ray refined structure.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 46","pages":" 6553-6561"},"PeriodicalIF":2.6,"publicationDate":"2024-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142714016","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}
CrystEngCommPub Date : 2024-10-11DOI: 10.1039/D4CE00927D
Sheng'ou Lu, Binjie Xu, Lingling Xuan, Xiaodong Pi, Deren Yang and Xuefeng Han
{"title":"Comparing basal and prismatic slips induced by thermal stresses in 4H-SiC crystals","authors":"Sheng'ou Lu, Binjie Xu, Lingling Xuan, Xiaodong Pi, Deren Yang and Xuefeng Han","doi":"10.1039/D4CE00927D","DOIUrl":"https://doi.org/10.1039/D4CE00927D","url":null,"abstract":"<p >Basal and prismatic slips induced by thermoelastic stresses during the growth of 4H-SiC are investigated by using the finite element method (FEM) and considering factors such as the crystal diameter, temperature, and off-axis angle. It is found that with the increase of the crystal diameter from 6 to 8 inches, the prismatic slip more likely occurs, leading to a higher density of basal plane dislocations (BPDs). However, the basal slip hardly changes. The temperature difference, rather than the growth temperature, is the primary factor contributing to the increase in the slip stresses. The stresses of the basal slip are significantly affected by a small off-axis angle, whereas those of the prismatic slip are not unaffected until the off-axis angle reaches 30 degrees. The mechanism for the decrease of the density of BPDs along the growth direction in an 8 inch 4H-SiC crystal is elucidated. We verify that the prismatic slip in an 8 inch 4H-SiC crystal contributes more to the BPD formation than the basal slip.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 44","pages":" 6244-6254"},"PeriodicalIF":2.6,"publicationDate":"2024-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142598750","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}
CrystEngCommPub Date : 2024-10-10DOI: 10.1039/D4CE00121D
Lei Zhang, Yu Wang, Mengyu Xu, Alex M. Kokot, Jie Qiu and Peter C. Burns
{"title":"Hydrothermal synthesis and structure of organically templated layered neptunyl(vi) phosphate (NpO2)3(PO4)2(Terpy)†","authors":"Lei Zhang, Yu Wang, Mengyu Xu, Alex M. Kokot, Jie Qiu and Peter C. Burns","doi":"10.1039/D4CE00121D","DOIUrl":"https://doi.org/10.1039/D4CE00121D","url":null,"abstract":"<p >A novel neptunyl(<small>VI</small>) phosphate compound, (NpO<small><sub>2</sub></small>)<small><sub>3</sub></small>(PO<small><sub>4</sub></small>)<small><sub>2</sub></small>(Terpy), was synthesized by hydrothermal reaction. It crystallizes in the orthorhombic space group <em>Pca</em>2<small><sub>1</sub></small> with unit-cell parameters <em>a</em> = 13.9944 Å, <em>b</em> = 12.1989 Å, <em>c</em> = 13.1277 Å, <em>V</em> = 2241.1 Å<small><sup>3</sup></small>, and <em>Z</em> = 4. Related to the layered structure of the uranophane topology, it contains the first reported (Np<small><sup>VI</sup></small>O<small><sub>2</sub></small>)<small><sub>2</sub></small>(PO<small><sub>4</sub></small>)<small><sub>2</sub></small><small><sup>2−</sup></small> sheets, which are bonded <em>via</em> π–π interactions between the Np<small><sup>VI</sup></small>O<small><sub>2</sub></small>(Terpy)<small><sup>2+</sup></small> ligands that are perpendicular to the sheets.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 42","pages":" 5991-5995"},"PeriodicalIF":2.6,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142524302","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}
CrystEngCommPub Date : 2024-10-10DOI: 10.1039/D4CE00767K
Qianyun Peng, Shaojie Li, Feng Liu, Guangxian Li and Xia Liao
{"title":"Effect of the interchain interaction on the crystallization kinetics and crystal structure of polylactic acid under nitrogen","authors":"Qianyun Peng, Shaojie Li, Feng Liu, Guangxian Li and Xia Liao","doi":"10.1039/D4CE00767K","DOIUrl":"https://doi.org/10.1039/D4CE00767K","url":null,"abstract":"<p >In order to prepare polylactic acid (PLA) foam material with excellent performance by utilizing nitrogen (N<small><sub>2</sub></small>), the crystallization behavior of PLA under N<small><sub>2</sub></small> needs to be urgently studied. This article <em>in situ</em> investigated for the first time the impact of N<small><sub>2</sub></small> on the crystallization kinetics of PLA. Meanwhile, the influence of N<small><sub>2</sub></small> on the crystal structure and crystallization process of PLA was studied. Research has shown that at different crystallization temperatures and N<small><sub>2</sub></small> pressures, N<small><sub>2</sub></small> exhibited different effects on the crystallization kinetics and crystal structure of PLA. At low crystallization temperature and N<small><sub>2</sub></small> pressure, N<small><sub>2</sub></small> promoted the growth of PLA spherulites. As the crystallization temperature increases, the maximum N<small><sub>2</sub></small> pressure that could accelerate the spherulite growth rate of PLA was also higher. Furthermore, under experimental pressure, N<small><sub>2</sub></small> would cause more α′ crystals to form in PLA at low crystallization temperatures. At high crystallization temperatures, the N<small><sub>2</sub></small> pressure showed much less impact on the crystalline structure of PLA than that of temperature. In addition, N<small><sub>2</sub></small> inhibited the cold crystallization of PLA, reducing the crystallization temperature range and cold crystallization enthalpy.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 42","pages":" 6082-6090"},"PeriodicalIF":2.6,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142524314","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}
CrystEngCommPub Date : 2024-10-10DOI: 10.1039/D4CE00883A
Yuan-Chang Liang and Hui-Yun Huang
{"title":"Developing a vulcanization approach to functionalize WO3 nanoplate photocatalysts with sulfide crystals for improved photoelectrochemical properties and environmental cleanup","authors":"Yuan-Chang Liang and Hui-Yun Huang","doi":"10.1039/D4CE00883A","DOIUrl":"https://doi.org/10.1039/D4CE00883A","url":null,"abstract":"<p >ZnS/WO<small><sub>3</sub></small> composite nanoplates were created by a hydrothermal vulcanization reaction using ZnO as the sacrificial layer. ZnO films were deposited on the surface of WO<small><sub>3</sub></small> nanoplates with different sputtering times to act as templates for the hydrothermal synthesis of ZnS/WO<small><sub>3</sub></small> nanoplates with different ZnS contents. Structural analysis revealed the sputtering time of the ZnO sacrificial shell layer affected the surface morphology and crystal defects of the ZnS/WO<small><sub>3</sub></small> composite materials. The formation of tight heterojunction interfaces and an appropriate number of heterojunctions enhanced the transport of charge carriers, resulting in improved photocatalytic efficiency. Compared to pristine WO<small><sub>3</sub></small> nanoplates, the ZnS/WO<small><sub>3</sub></small> (WZS) series composite materials showed superior photoelectrochemical properties. The WZS350 composite sample with 3.1 at% Zn and 3.3 at% S was identified as the best photocatalyst. The experimental results of this study demonstrate that WO<small><sub>3</sub></small> nanoplates with appropriate ZnS particle modification can effectively regulate their surface photosensitivity, offering a promising approach for the application of photocatalysts.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 43","pages":" 6194-6207"},"PeriodicalIF":2.6,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142579288","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}
CrystEngCommPub Date : 2024-10-10DOI: 10.1039/D4CE00866A
Lorenz Taucher, Zaher Ramadan, René Hammer, Thomas Obermüller, Peter Auer and Lorenz Romaner
{"title":"Machine learning assisted calibration of PVT simulations for SiC crystal growth†","authors":"Lorenz Taucher, Zaher Ramadan, René Hammer, Thomas Obermüller, Peter Auer and Lorenz Romaner","doi":"10.1039/D4CE00866A","DOIUrl":"https://doi.org/10.1039/D4CE00866A","url":null,"abstract":"<p >Numerical simulations are frequently utilized to investigate and optimize the complex and hardly <em>in situ</em> examinable Physical Vapor Transport (PVT) method for SiC single crystal growth. Since various process and quality-related aspects, including growth rate and defect formation, are strongly influenced by the thermal field, accurately incorporating temperature-influencing factors is essential for developing a reliable simulation model. Particularly, the physical material properties of the furnace components are critical, yet they are often poorly characterized or even unknown. Furthermore, these properties can be different for each furnace run due to production-related variations, degradation at high process temperatures and exposure to SiC gas species. To address this issue, the present study introduces a framework for efficient investigation and calibration of the material properties of the PVT simulation by leveraging machine learning algorithms to create a surrogate model, able to substitute the computationally expensive simulation. The applied framework includes active learning, sensitivity analysis, material parameter calibration, and uncertainty analysis.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 44","pages":" 6322-6335"},"PeriodicalIF":2.6,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142598770","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}
CrystEngCommPub Date : 2024-10-07DOI: 10.1039/D4CE00756E
Tie Liu and Guangwei Zhang
{"title":"Efficient electrocatalysts for biomass quasi-solid-state Li–O2 batteries: porous nanocages with nickel–cobalt-N/C active species†","authors":"Tie Liu and Guangwei Zhang","doi":"10.1039/D4CE00756E","DOIUrl":"https://doi.org/10.1039/D4CE00756E","url":null,"abstract":"<p >Ordered porous materials can offer more accessible catalytic sites and large buffer space for discharge products, thus improving cell performance. In this paper, a simple down-top solution-precipitation method followed by pyrolysis was proposed to disperse active nickel–cobalt-NC sites in ZIF-derived porous carbon nanocages. It was found that these metal nanoparticles were confined in the N-enriched carbon nanocage with a total metal loading of about 8.74 at%. As expected, this porous structure not only enhances electron conductivity, but also provides a sufficient surface area to facilitate the triphasic cell reaction and create more space for the storage of discharge products. Experimental findings confirm that this interesting nanostructure manifests an increase in capacity (6682.6 mA h g<small><sup>−1</sup></small>), coulombic efficiency (∼100%) and cycling performance (∼80 cycles) over the control group for quasi-solid-state cells. Benefitting from the addition of Ni to modify the porous structure, the O<small><sub>2</sub></small>/ion diffusion pathway and accessible active sites are enriched, yielding faster redox kinetics and lower overpotential (high reversibility). Thus, our work demonstrates that this type of porous bimetallic nanocage is promising for fabricating efficient biomass quasi-solid-state Li–O<small><sub>2</sub></small> batteries.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 44","pages":" 6288-6295"},"PeriodicalIF":2.6,"publicationDate":"2024-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142598756","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}
CrystEngCommPub Date : 2024-10-07DOI: 10.1039/D4CE00610K
Shanxiang Sheng, Meng Wu, Chao Zhi, Yongzhen Wang, Jiaguang Meng and Yaming Liu
{"title":"Achieving saturated non-iridescent structural colors via island-like polypyrrole coating on SiO2 microspheres and enhancing their stability through a melt-curing strategy†","authors":"Shanxiang Sheng, Meng Wu, Chao Zhi, Yongzhen Wang, Jiaguang Meng and Yaming Liu","doi":"10.1039/D4CE00610K","DOIUrl":"https://doi.org/10.1039/D4CE00610K","url":null,"abstract":"<p >High saturation and high stability are two issues that must be addressed in the practical application of structural color based on the self-assembly of colloidal microspheres. Herein, we coated SiO<small><sub>2</sub></small> microspheres with island-like polypyrrole (PPy), a black substance that can absorb incoherent scattered light, thereby enhancing the saturation of structural colors on both black and white substrates. Besides, the irregular island-like structure prompts the SiO<small><sub>2</sub></small>@PPy microspheres to form a short-range ordered amorphous structure, exhibiting non-iridescent structural colors. Importantly, we propose a melt-curing strategy that can enhance the interaction forces between the two microspheres and between the microspheres and the substrate, thus enabling the structural colors to exhibit good stability. Even after rubbing, folding, and ultrasonic cleaning tests, the color of the cured sample remains virtually unchanged. The SiO<small><sub>2</sub></small>@PPy microspheres prepared and the melt curing strategy in this work can lay foundations for the practical application of structural colors.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 43","pages":" 6219-6225"},"PeriodicalIF":2.6,"publicationDate":"2024-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142579291","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}
CrystEngCommPub Date : 2024-10-07DOI: 10.1039/D4CE00494A
Li Huang, Yufan Yang, Xiaoyang Yu, Xiaonan Li, Yuan Shen, Runhong Song and Hong Zhang
{"title":"Two polyoxovanadates for visible light driven photocatalytic performance†","authors":"Li Huang, Yufan Yang, Xiaoyang Yu, Xiaonan Li, Yuan Shen, Runhong Song and Hong Zhang","doi":"10.1039/D4CE00494A","DOIUrl":"https://doi.org/10.1039/D4CE00494A","url":null,"abstract":"<p >The synthesis of novel polyoxovanadates (POVs) has received considerable critical attention. Herein, two new POVs, {V<small><sub>12</sub></small>P<small><sub>8</sub></small>} (<strong>1</strong>) and {V<small><sub>16</sub></small>P<small><sub>8</sub></small>} (<strong>2</strong>), have been designed and synthesized based on phenylphosphonic acid (PhPO<small><sub>3</sub></small>H<small><sub>2</sub></small>) under solvothermal conditions. The structure of <strong>2</strong> is a 16-nuclearity POV composed of four rare zigzag {V<small><sub>4</sub></small>} secondary building units (SBUs). To the best of our knowledge, <strong>2</strong> is the first POV synthesized with PhPO<small><sub>3</sub></small>H<small><sub>2</sub></small> including this zigzag SBU, which is also very rare among all POVs. Moreover, <strong>2</strong> is the highest-nuclearity isopolyoxovanadate (IPOV) synthesized using PhPO<small><sub>3</sub></small>H<small><sub>2</sub></small> as the only organic ligand so far. The photocatalytic properties of <strong>1</strong> and <strong>2</strong> were studied under visible light. Both <strong>1</strong> and <strong>2</strong> demonstrate good performance in photocatalytic oxidation of 1,5-dihydroxynaphthalene (1,5-DHN). Compound <strong>1</strong> also has a photocatalytic effect on MB degradation, with 87% of MB degradation within 8 minutes.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 43","pages":" 6226-6234"},"PeriodicalIF":2.6,"publicationDate":"2024-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142579289","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}