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Host-Guest Chemistry and Nonlinear Optical Behaviors of Aluminum Molecular Rings

Chinese Journal of Chemistry 2024年第21期42卷 2581-2588页

作者： Yi-Bo Chen cheng-yang zhang Dan Luo Ran-Qi Chen Jian zhang Shu-Mei Chen Wei-Hui Fang College of Chemistry Fuzhou UniversityFuzhouFujian350108 China State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of MatterChinese Academy of SciencesFuzhouFujian350002 China Fujian College University of Chinese Academy of SciencesNo.155 Yangqiao West RoadFuzhouFujian350002 China

Macrocyclic compounds are of great interest for their ability to capture guest molecules into their *** particular,host-guest interaction plays a crucial role in the formation of supramolecular ***,two host-guest supramolecular compounds,[Al_(8)(OH)_(8)(L)_(16)]·2HL(HL@AlOC-166,HL=4-Iodobenzoic acid)and[Al_(8)(OH)_(8)(L)_(8)(L1)_(8)]·2DMF(DMF@AlOC-166,HL1=isoamyl alcohol),are acquired by introducing different types of guest components based on the internal pore cavities of the aluminum molecular ring[Al_(8)(OH)_(8)(L)_(16)](AlOC-166).The inclusion of these guests is attributed to the presence of abundant hydrophilic OH serving as the hydrogen bond donors inward the ring ***-guest compounds usually exhibit superior nonlinear optical(NLO)response due to the existence of guest molecules that could change symmetry,dipole moments,charge distributions,***,the AlOC-166 achieved the best NLO results,although it had no guest molecules inside its molecular ring,which breaks the traditional *** reason for this trend can be explained by the difference in intermolecular force rather than intramolecular interaction,mainly related to the amount and strength ofπ···πand C—I···πinteractions in different *** work investigates the effect of host-guest interaction on NLO,representing a new perspective for designing optical limiting materials.

关键词： Host-guest chemistry Noncovalent interaction Nonlinear optical Aluminum molecular ring

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NUMERICAL RESEARCH ON WATER GUIDE BEARING OF HYDRO-GENERATOR UNIT USING FINITE VOLUME METHOD

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Journal of Hydrodynamics 2007年第5期19卷 635-642页

作者： PENG Yu-cheng CHEN Xi-yang zhang Ke-wei HOU Guo-xiang School of Energy and Power. Engineering Huazhong University of Science and Technology Wuhan 430074 China School of Traffic Science and Engineering Huazhong University of Science and Technology Wuhan 430074 China

With the consideration of the geometry of tilting pad journal bearing, a new form of the Reynolds equation was derived in this article. The film thickness, the squeeze motion of the journal and the rotation motion of the pad were explicitly contained in the equation. Based on this equation, together with the equilibrium equation of pad pivot, the water guide bearing used in the Gezhouba 10 F hydro-generator unit was numerically researched. The new Reynolds equation for the lubricating film was solved using Finite Volume （FV） discretization, Successive Over-Relaxation （SOR） iteration method and C＋＋ code are included. According to the numerical solution, and the stability of the film and the influences of the film thickness, the journal squeeze effect and the pad rotation effect on film force were discussed. The results indicate that the squeeze effect can not be neglected, although the rotation effect is negligible for both low-speed and high-speed bearings, so the computing time could be greatly reduced.

关键词： hydro-generator unit Reynolds equation,tilting pad journal bearing Finite Volume (FV) method

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Control of Corner Separation for a Linear Compressor Cascade via Bionic Slanting Riblets at the Endwall

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Journal of Thermal Science 2025年第1期34卷 129-144页

作者： zhang Peng LI Yonghong cheng Rixin Key Laboratory of Civil Aircraft Airworthiness Technology Civil Aviation University of China College of Aeronautical Engineering Civil Aviation University of China

A new passive control approach,utilizing bionic slanting riblets,is employed to mitigate the flow close to the blade endwall in a linear cascade,and its effectiveness and mechanism in controlling corner separation are investigated through numerical *** slanting riblets are positioned at the endwall upstream of the cascade channel,and the influence of riblet height,yaw angle and relative position on the control of corner separation is *** findings indicate that the application of slanting riblets can efficiently counteract corner separation across the stable operational ***,the introduction of riblets with a height of merely 0.1 times the boundary layer thickness results in a significant reduction in total pressure loss by up to 14.53%,while simultaneously enhancing the static pressure coefficient by 21.74%.Flow analysis reveals that minute vortices produced within the riblet channels tend to coalesce,forming a potent large-scale vortex near the boundary layer's base *** phenomenon results in reduced additional losses compared to conventional vortex ***,the induced vortex promotes enhanced mixing between the mainstream flow and boundary layer,inhibiting the lateral displacement of low-energy fluids within the endwall boundary ***,this delays the onset of separation vortex formation and eliminates vortex rings in the corner region,ultimately enhancing the aerodynamic efficiency of the cascade.

关键词： additional losses compressor cascade corner separation slanting riblets vortex generator

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Moment Redistribution Effect of the Continuous Glass Fiber Reinforced Polymer-Concrete Composite Slabs Based on Static Loading Experiment

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Structural Durability & Health Monitoring 2025年第1期19卷 105-123页

作者： Zhao-Jun zhang Wen-Wei Wang Jing-Shui Zhen Bo-cheng Li De-cheng Cai yang-yang Du Hui Huang Offshore Oil Engineering Co.Ltd. Tianjin300461China Department of Bridge Engineering School of TransportationSoutheast UniversityNanjing211189China

This study aimed to investigate the moment redistribution in continuous glass fiber reinforced polymer(GFRP)-concrete composite slabs caused by concrete cracking and steel bar yielding in the negative bending moment *** experimental bending moment redistribution test was conducted on continuous GFRP-concrete composite slabs,and a calculation method based on the conjugate beam method was *** composite slabs were formed by combining GFRP profiles with a concrete layer and supported on steel beams to create two-span continuous composite slab *** methods,epoxy resin bonding,and stud connection,were used to connect the composite slabs with the steel *** experimental findings showed that the specimen connected with epoxy resin exhibited two moments redistribution phenomena during the loading process:concrete cracking and steel bar yielding at the internal *** contrast,the composite slab connected with steel beams by studs exhibited only one-moment redistribution phenomenon throughout the loading *** the concrete at the internal support cracked,the bending moment decreased in the internal support section and increased in the midspan *** the steel bars yielded,the bending moment further decreased in the internal support section and increased in the mid-span *** GFRP profiles do not experience cracking,there was no significant decrease in the bending moment of the mid-span *** test specimens experienced compressive failure of concrete at the mid-span *** results showed good agreement between the calculated and experimental values of bending moments in the mid-span section and internal support *** proposed model can effectively predict the moment redistribution behavior of continuous GFRP-concrete composite slabs.

关键词： Moment redistribution GFRP-concrete composite slabs bending moment experimental study analysis model

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Dielectric-ion-conductive ZnNb2O6 layer enabling rapid desolvation and diffusion for dendrite-free Zn metal batteries

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Journal of Energy Chemistry 2025年第1期100卷 693-701页

作者： Haifeng yang Jian Wang Panpan zhang Xiaomin cheng Qinghua Guan Jing Dong Bixian Chen Lujie Jia Jing zhang Yongzheng zhang Yunjian Liu Hongzhen Lin School of Materials Science and Engineering Jiangsu University i-Lab & CAS Key Laboratory of Nanophotonic Materials and Devices Suzhou Institute of Nano-Tech and Nano-Bionics Chinese Academy of Sciences Helmholtz Institute Ulm (HIU) Karlsruhe Institute of Technology (KIT) School of Materials Science and Engineering Xi'an University of Technology State Key Laboratory of Chemical Engineering East China University of Science and Technology

Rechargeable aqueous zinc-metal batteries （AZMBs） are promising candidates for large-scale energy storage systems due to their low cost and high ***,their performance and sustainability are significantly hindered by the sluggish desolvation kinetics at the electrode/electrolyte interface and the corresponding hydrogen evolution reaction where active water molecules tightly participate in the Zn（H2O）62+solvation ***,learnt from self-generated solid electrolyte interphase （SEI） in anodes,the dielectric but ion-conductive zinc niobate nanoparticles artificial layer is constructed on metallic Zn surface （ZNB@Zn）,acting as a rapid desolvation *** zincophilic and dielectric-conductive properties of ZNB layer accelerate interfacial desolvation/diffusion and suppress surface corrosion or dendrite formation,achieving uniform Zn plating/stripping behavior,as confirmed by electronic/optical microscopies and interface spectroscopical measurements together with theoretical ***,the as-prepared ZNB@Zn electrode exhibits excellent cycling stability of over 2000 h and robust reversibility （99.54%） even under high current density and depth of discharge ***,the assembled ZNB@Zn-based full cell displays high capacity-retention rate of 80.21%after 3000 cycles at 5 A g-1and outstanding rate performance up to 10 A *** large-areal pouch cell is stabilized for hundreds of cycles,highlighting the bright prospects of the dielectric but ion-conductive layer in further application of AZMBs.

关键词： Zn metal battery Dielectric artificial layer Rapid ion diffusion Zincophilic diffusion Active water inhibition

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Unraveling the impacts of intermolecular interaction on morphology evolution for highly efficient organic solar cells and modules

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Science China Chemistry 2025年第1期68卷 264-272页

作者： Xueqing Ma Yingying cheng Yuqiang Liu Xinming Zheng Guangliu Ran Hongxiang Li Xinyue Cui Andong zhang Wenkai zhang Pei cheng Wenchao Huang Zhishan Bo Beijing Key Laboratory of Energy Conversion and Storage Materials College of Chemistry Beijing Normal University College of Textiles and Clothing State Key Laboratory of Bio-fibers and Eco-textiles Qingdao University Key State Laboratory of Advanced Technology for Materials Synthesis and Processing School of Materials Science and EngineeringWuhan University of Technology Department of Physics and Applied Optics Beijing Area Major Laboratory Center for Advanced Quantum Studies Beijing Normal University State Key Laboratory of Polymer Materials Engineering College of Polymer Science and Engineering Sichuan University

Understanding the effect of intermolecular interaction on the growth dynamic of active layers is critical for advancing organic solar cells(OSCs). However, the diverse structure of donors and acceptors makes the research challenging. Additives with customizable structures and properties could simplify this complexity. Herein, we meticulously tailor two additives of 3,4-ethylenedioxythiophene(EDOT) and 2,5-dibromo-3,4-ethylenedioxythiophene(DBEDOT), possessing distinct intermolecular interaction features to elaborate the inherent relationship. It is found that varied interaction strengths can alter film formation processes. The enhanced intermolecular interaction between the DBEDOT and non-fullerene acceptor BTP-e C9-4F results in pre-aggregation and longer crystallization duration of BTP-e C9-4F, facilitating the formation of films with compact molecular packing and decent phase separation. Thus, exciton dissociation and charge transport become more efficient. Finally, devices processed with DBEDOT exhibit a remarkable power conversion efficiency of 19.35% in small-area OSCs and 14.11% in bladecoated 5 cm × 5 cm organic solar mini-modules. Especially, OSCs can maintain 80% of their initial efficiency after continuous annealing at 85 °C for over 2,100 h.

关键词： organic solar cell non-fullerene acceptor film growth molecular packing intermolecular interaction

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水轮机转轮结构与过机幼鱼受压强损伤相关性研究

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水力发电学报 2017年第10期36卷 110-120页

作者：王煜李成张洋三峡大学水利与环境学院湖北宜昌443002 贵州省水利水电勘测设计研究院贵阳550002

大坝阻隔了洄游性鱼类的洄游通道,鱼类通过水轮机下行或误入水轮机流道将遭受水轮机流道复杂水动力特性及水轮机结构的影响,导致过机鱼体的损伤甚至死亡。为有效保护鱼类资源,本文在对大型轴流式水轮机进行全流道三维数值模拟的基础上,... 详细信息

大坝阻隔了洄游性鱼类的洄游通道,鱼类通过水轮机下行或误入水轮机流道将遭受水轮机流道复杂水动力特性及水轮机结构的影响,导致过机鱼体的损伤甚至死亡。为有效保护鱼类资源,本文在对大型轴流式水轮机进行全流道三维数值模拟的基础上,以鱼类受压强和压强梯度损伤阈值作为评价指标,对水轮机流道转轮叶片数目及转轮泄水锥尺寸进行降低幼鱼损伤概率的优化研究。研究结果表明,在满足水轮机出力要求的前提下,大型轴流式水轮机转轮叶片数目增多将增大下行幼鱼受压力及压力梯度损伤的概率,转轮泄水锥相对高度的减小将增加幼鱼受压力及压力梯度损伤的概率。该研究成果可为减小鱼体损伤的环境友好型水轮机优化设计提供参考。

关键词：水力机械 CFD数值模拟压强损伤优化研究

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Enhanced rate capability and cycle stability of Ti2C MXene for sodium storage through an aniline molecules welding strategy

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Tungsten 2025年第1期7卷 161-171页

作者： Hao Chen Ya-Qin Wang Dong-Ting zhang Bei Zhao Min-Peng Li Chen-yang Li Tian-Peng Xu Mao-cheng Liu State Key Laboratory of Advanced Processing and Recycling of Non-Ferrous Metals Lanzhou University of Technology School of Materials Science and Engineering Lanzhou University of Technology School of Computer and Communication Technology Lanzhou University of Technology

MXenes obtained significant attention in the field of energy storage devices due to their characteristic layered structure,modifiable surface functional groups,large electrochemically active surface,and regulable interlayer ***,the self-restacking and sluggish ions diffusion kinetics performance of MXenes during the alkali metal ions insertion/extraction process severely impedes their cycle stability and rate *** paper proposes an aniline molecule welding strategy for welding p-phenylenediamine（PPDA） into the interlayers of Ti2C through a dehydration condensation *** welded PPDA molecules can contribute pillar effect to the layered structure of *** pillar effect effectively maintains the structural stability during the sodium ions insertion/extraction process and effectively expands the interlayer spacing of Ti2C from 1.16 to 1.38 nm,thereby enhancing ions diffusion kinetics performance and improving the long-term cycle *** Ti2C-PPDA demonstrates outstanding Na+storage capability,exhibiting a specific capacity of 100.2 mAh·g-1at a current density of 0.1 A·g-1over 960 cycles and delivering a remarkable rate capability 81.2 mAh·g-1at a current density of 5 A·*** study demonstrates that expanding interlayer spacing is a promising strategy to enhance the Na+storage capacity and improve long-term cycling stability,which provides significant guidance for the design of two-dimensional Na+storage materials with high-rate capability and cycle stability.

关键词： Diffusion kinetics Expanding interlayer spacing Rate capability Sodium ions storage Ti2C

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A sensitive fluorescent sensor-based on the photoinduced electron transfer mechanism for cefixime

A sensitive fluorescent sensor-based on the photoinduced ele...

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中国化学会第六届全国热分析动力学与热动力学学术会议

作者： cheng-zhang yang cheng Xu Yong-Chang Liu 胡艳军 Hubei Key Laboratory of Pollutant Analysis & Reuse Technology Department of ChemistryHubei Normal University 湖北师范大学化学化工学院

Cefixime is a third generation orally administered cephalosporin that is frequently used as a broad spectrum antibiotic against various gram-negative and gram-positive bacteria. In this study, a simple and sensitive fluorescent sensor for the determination the Cefixime was established based on the CdTe:Zn quantum dots(QDs). The fluorescence of CdTe:Zn QDs can be effectively quenched by Cefixime in virtue of the surface binding of Cefixime on CdTe:Zn QDs and the subsequent photoinduced electron transfer process from CdTe:Zn QDs to Cefixime, in particular, the high sensitivity of QDs PL emission to Cefixime at the micromole per liter level, which render the Cefixime-CdTe:Zn QDs system into fluorescence "OFF" status. Furthermore, the FTIR of characteristics bands of C-O, N–H, O–H groups of Cefixime endow evidence for the interaction of Cefixime with CdTe:ZnQDs. The relative thermodynamic behaviour of the affinity of CdTe:ZnQDs for Cefixime reveals the potential molecular binding mechanism.

关键词： Fluorescent sensor CdTe:Zn2+QDs Cefixime photoinduced electron transfer

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Experimental study of dual nano-network, high-temperature resistant aerogel material as an integration of thermal management functions

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Journal of Energy Chemistry 2025年第1期100卷 157-170页

作者： Yueyue Xiao Tianke Mao Zun Zhao Yuelei Pan Heping zhang Xudong cheng State Key Laboratory of Fire Science University of Science and Technology of China

Thermal management system is highly desirable to guarantee the performance and thermal safety of lithium-ion batteries,but it reduces the energy density of battery modules and even is unable to provide highly effective ***,a thermal management function integrated material is presented based on high-temperature resistant aerogel and phase change material and is applied at both charge–discharge process and thermal runaway *** this sandwich structure Paraffin@SiC nanowire/Aerogel sheet （denoted as PA@SAS） system,SiC nanowires endow the middle aerogel sheet （SAS） a dual nano-network *** enhanced mechanical properties of SAS were studied by compressive tests and dynamic mechanical ***,the thermal conductivity of SAS at 600°C is only 0.042 W/（m K）.The surface phase change material layers facilitate temperature uniformity of batteries （surface temperature difference less than 1.82°C） through latent ***,a large-format battery module with four 58 Ah LiNi0.5Co0.2Mn0.3O2LIBs was ***@SAS successfully prevents thermal runaway propagation,yielding a temperature gap of 602°C through the 2 mm-thick cross ***@SAS also exhibits excellent performance in other safety issues such as temperature rise rate,flame heat flux,*** lightweight property and effective insulation performance achieves significant safety enhancement with mass and volume energy density reduction of only 0.79%and 5.4%,*** originality of the present research stems from the micro and macro structure design of the proposed thermal management material and the combination of intrinsic advantages of every *** work provides a reliable design of achieving the integration of thermal management functions into an aerogel composite and improves the thermal safety of lithium-ion batteries.

关键词： Thermal insulation

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