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An internally linked dibenzihexaphyrin

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Science China Chemistry 2025年

作者： Zhaohui Zong Xiaotong Zhang Zhe Liu Guangliu Ran Wenkai Zhang Xiansheng Ke College of Chemistry Beijing Normal University School of physics and Astronomy Applied Optics Beijing Area Major Laboratory Center for Advanced Quantum Studies Beijing Normal University Key Laboratory of Multiscale Spin physics Ministry of Education Beijing Normal University

Hexaphyrins are one of the most studied expanded porphyrins that show intriguing electronic structure and coordination abilities in the past decades. However, core-modified hexaphyrins especially for benzene-replaced hexaphyrins are much less ***, we revisit the dibenzihexaphyrin system and demonstrate how to achieve the hexaphyrin-like organometallic nature of a benzene-replaced expanded porphyrin. For the “true” di-m-benzihexaphyrin 2, metal complex with anticipated CCNN coordination is not realized probably due to the steric hindrance. Further, we synthesized an internally linked dibenzihexaphyrin (3)with a direct carbon–carbon bond between two phenylenes. As prepared, 3 has a strained biphenyl unit and can effectively coordinate two Cu(III) ions with CCNN coordination. This sharp contrast underscores the critical importance of the formed preorganized corrole-like adj-CCNN cavities after linking two flanking phenylenes. 3 can also act as a bidentate ligand like traditional hexaphyrin, enabling the formation of an even more strained bis-Rh(I) complex. The electronic structures and photophysical properties of the free base and metal complexes are systematically studied by steady state absorption and fstransient absorptions (fs-TA) spectroscopies, as well as DFTcalculations. Notably, 3 can be regarded as a hexaphyrin-sized backto-back fused bis-dicarbacorrole, which stands as the smallest fused carbaporphyrinoid array prepared to date.

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Low-cost and fluoride-free synthesis of MFI zeolite nanosheets with enhanced stability for benzene alkylation with ethanol

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Journal of Energy Chemistry 2025年第1期100卷 458-468页

作者： Peng Zhu Cun Liu Yiren Yu Guoshu Gao Yumeng Zhao Xiongfu Zhang Guodong Liu Guohui Yang State Key Laboratory of Fine Chemicals School of Chemical Engineering Dalian University of Technology State Key Laboratory of Catalysis Dalian Institute of Chemical Physics Chinese Academy of Sciences

Zeolite nanosheets with a short b-axis thickness are highly desirable in lots of catalytic reactions due to their reduced diffusion resistance. Nevertheless, conventional synthesis methods usually require expensive structure-directing agents(SDAs), pricey raw materials, and eco-unfriendly fluorine-containing additives. Here, we contributed a cost-effective and fluoride-free synthesis method for synthesizing high-quality MFI zeolite nanosheets through a Silicalite-1(Sil-1) seed suspension and urea cooperative strategy, only with inexpensive colloidal silica as the Si source. Our approach was effective for synthesizing both Sil-1 and aluminum-containing ZSM-5 nanosheets. By optimizing key synthesis parameters,including seed aging time, seed quantity, and urea concentration, we achieved precise control over the crystal face aspect ratio and b-axis thickness. We also revealed a non-classical oriented nanosheet growth mechanism, where Sil-1 seeds induced the formation of quasi-ordered precursor particles, and the(010)crystal planes of these particles facilitated urea adsorption, thereby promoting c-axis-oriented *** obtained ZSM-5 nanosheets exhibited exceptional catalytic performance in the benzene alkylation with ethanol, maintaining stability for over 500 h, which is 5 times longer than traditional ZSM-5 catalysts. Furthermore, large-scale production of ZSM-5 nanosheets was successfully carried out in a 3 L highpressure autoclave, yielding samples consistent with those from laboratory-scale synthesis. This work marks a significant step forward in the sustainable and efficient production of MFI nanosheets using inexpensive and environmentally friendly raw materials, offering the broad applicability in catalysis.

关键词： Aspect ratio

Thermal Quantum Discord in Anisotropic Heisenberg XXZ Model with Dzyaloshinskii-Moriya Interaction

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Communications in Theoretical physics 2010年第7期54卷 60-66页

作者：陈一新尹志 Zhejiang insitute of Modern physics Zhejiang University

The thermal quantum discord （QD） is studied in a two-qubit Heisenberg XXZ system with DzyaloshinskiiMoriya （DM） interaction. We compare the thermal QD with thermal entanglement in this system and find remarkable differences between them. For instance, we show situations where QD decreases asymptotically to zero with temperature T while entanglement decreases to zero at the point of critical temperature, situations where QD decreases with certain tunable parameters such as Dx and Dx when entanglement increases. We find that the characteristic of QD is exotic in this system and this possibly offers a potential solution to enhance entanglement of a system. We also show that tunable parameter Dx is more efficient than parameter Dz in most regions for controlling the QD.

关键词： thermal quantum discord Heisenberg XXZ model Dzyaloshinskii-Moriya interaction

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Toward Analytical Homogenized Relaxation Modulus for Fibrous Composite Material with Reduced Order Homogenization Method

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Computers, Materials & Continua 2025年第1期82卷 193-222页

作者： Huilin Jia Shanqiao Huang Zifeng Yuan HEDPS Center for Applied Physics and Technology(CAPT)Department of Mechanics and Engineering SciencePeking UniversityBeijing100871China State Key Laboratory for Turbulence and Complex Systems Peking UniversityBeijing100871China

In this manuscript,we propose an analytical equivalent linear viscoelastic constitutive model for fiber-reinforced composites,bypassing general computational *** method is based on the reduced-order homogenization(ROH)*** ROH method typically involves solving multiple finite element problems under periodic conditions to evaluate elastic strain and eigenstrain influence functions in an‘off-line’stage,which offers substantial cost savings compared to direct computational homogenization *** to the unique structure of the fibrous unit cell,“off-line”stage calculation can be eliminated by influence functions obtained *** the standard solid model to the ROH method enables the creation of a comprehensive analytical homogeneous viscoelastic constitutive *** method treats fibrous composite materials as homogeneous,anisotropic viscoelastic materials,significantly reducing computational time due to its analytical *** approach also enables precise determination of a homogenized anisotropic relaxation modulus and accurate capture of various viscoelastic responses under different loading *** sets of numerical examples,including unit cell tests,three-point beam bending tests,and torsion tests,are given to demonstrate the predictive performance of the homogenized viscoelastic ***,the model is validated against experimental measurements,confirming its accuracy and reliability.

关键词： Homogenized relaxation modulus viscoelastic standard solid model reduced order homogenization fibrous composite material

Near-perfect replication on amorphous alloys through active force modulation based on machine learning/neural network parameter prediction

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Science China(physics,Mechanics & Astronomy) 2025年第1期Mechanics & Astronomy) .卷 181-191页

作者： Senkuan Meng Zheng Wang Ruisong Zhu Ruijie Liu Jiang Ma Lina Hu Weihua Wang Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials (Ministry of Education) School of Materials Science and Engineering Shandong University College of Mechatronics and Control Engineering Shenzhen University Songshan Lake Materials Laboratory Institute of physics Chinese Academy of Sciences

As a microforming technique, micro/nano-structural replication possesses advantages of high precision and efficiency. With the remarkable superplasticity in the supercooled liquid region, amorphous alloys or metallic glasses(MGs) are regarded as ideal materials for miniature fabrication. However, due to the intrinsic metastable nature of supercooled liquids, the design of imprinting processes for MGs poses a challenge. In the past, process parameters have largely relied on trial-and-error *** this work, a low-frequency active force modulation system is employed to apply a stable, precise, and real-time feedback stress field for imprinting of MG samples. Low-frequency vibrations can facilitate the filling of microstructures on the template surface by reducing the effective viscosity of the supercooled liquid. With the dataset composed of orthogonal experiments, a machine learning strategy based on back-propagation(BP) neural networks was utilized to construct a 3D parameter space for temperature, stress, and time, and to predict the corresponding filling ratio. Furthermore, the optimal combination of imprinting process parameters was identified, and its filling ratio was experimentally validated to reach as high as 0.94. The near-perfect replication of microstructures confirms the superiority of the active force modulation system and the data-driven strategy of machine learning-assisted parameter design. At the same time, this one-step microforming process provides a new approach to addressing the accuracy-cost trade-off dilemma in precision manufacturing.

关键词： metallic glass amorphous alloy microforming imprinting machine learning

Wave effect of gravitational waves intersected with a microlens field Ⅱ:An adaptive hierarchical tree algorithm and population study

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Science China(physics,Mechanics & Astronomy) 2025年第1期Mechanics & Astronomy) .卷 241-254页

作者： Xikai Shan Guoliang Li Xuechun Chen Wen Zhao Bin Hu Shude Mao Department of Astronomy Tsinghua University Purple Mountain Observatory Chinese Academy of Sciences Institute for Frontier in Astronomy and Astrophysics Beijing Normal University School of physics and Astronomy Beijing Normal University School of Astronomy and Space Science University of Science and Technology of China CAS Key Laboratory for Researches in Galaxies and Cosmology Department of Astronomy University of Science and Technology of ChinaChinese Academy of Sciences

The gravitational lensing wave effect generated by a microlensing field embedded in a lens galaxy is an inevitable phenomenon in strong lensed gravitational waves （SLGWs）.This effect presents both challenges and opportunities for the detection and application of ***,investigating this wave effect requires computing a complete diffraction integral over each microlens in the *** is extremely time-consuming due to the large number of microlenses （10～3-10～6）.Therefore,simply adding all the microlenses is ***,the complexity of the time delay surface makes the lens plane resolution a crucial factor in controlling numerical *** this paper,we propose a trapezoid approximation-based adaptive hierarchical tree algorithm to meet the challenges of calculation speed and *** find that this algorithm accelerates the calculation by four orders of magnitude compared to the simple adding method and is one order of magnitude faster than the fixed hierarchical tree algorithm proposed for electromagnetic *** importantly,our algorithm ensures controllable numerical errors,increasing confidence in the *** with our previous work （***.66,239511,2023）,this paper addresses all numerical issues,including integral convergence,precision,and computational time1).Finally,we conducted a population study on the microlensing wave effect of SLGWs using this algorithm and found that the microlensing wave effect cannot be ignored,especially for Type II SLGWs （from saddle position of the time delay surface） due to their intrinsic geometric structures and their typical intersection with a denser microlensing ***,more than 33%（11%） of SLGWs have a mismatch larger than 1%（3%） compared to the unlensed ***,we found that the mismatch between signal pairs in a doubly imaged GW is generally larger than 10-3,and 61%（25%） of signal pairs have a mismatch larger than 1%（3%）.Therefo

关键词： gravitational lensing diffractional integral algorithm gravitational wave

Quantitative analysis results of CE-1 X-ray fluorescence spectrometer ground base experiment

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Chinese physics C 2008年第1期32卷 24-27页

作者：崔兴柱王焕玉张承模陈勇张家宇彭文溪曹学蕾梁小华汪锦州高旻杨家卫 insitute of High Energy physics CAS

As the nearest celestial body to the earth, the moon has become a hot spot again in astronomy field recently. The element analysis is a much important subject in many lunar projects. Remote X-ray spectrometry plays an important role in the geochemical exploration of the solar bodies. Because of the quasi-vacuum atmosphere on the moon, which has no absorption of X-ray, the X-ray fluorescence analysis is an effective way to determine the elemental abundance of lunar surface. The CE-1 X-ray fluorescence spectrometer （CE-1/XFS） aims to map the major elemental compositions on the lunar surface. This paper describes a method for quantitative analysis of elemental compositions. A series of ground base experiments are done to examine the capability of XFS. The obtained results, which show a reasonable agreement with the certified values at a 30% uncertainty level for major elements, are presented.

关键词： X-ray fluorescence elemental abundance lunar surface quantitative analysis

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Transport properties in a multi-terminal regular polygonal quantum ring with Rashba spin-orbit coupling

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Chinese physics B 2012年第12期21卷 66-73页

作者：唐翰昭翟利学刘建军 Department of physics and hebei Advanced Thin Film Laboratory Hebei Normal University Department of physics Shijiazhuang University

Transport properties in a multi-terminal regular polygonal quantum ring with Rashba spin-orbit coupling （SOC） are investigated analytically using quantum networks and the transport matrix metLod. The results show that conduc- tances remain at exactly the same values when the output leads are located at axisymmetric positions. However, for the nonaxisymmetrical case, there is a phase difference between the upper and lower arm, which leads to zero conductances appearing periodically. An isotropy of the conductance is destroyed by the Rashba SOC effect in the axisymmetric case. In addition, the position of zero conductance is regulated with the strength of the Rashba SOC.

关键词： multi-terminal quantum ring Rashba spin-orbit coupling transport property

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Recent development in electrode design for wide-temperature supercapacitors

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Science China Chemistry 2025年第1期 96-117页

作者： Jianhong Liu Qiang Zhou Yuxiao Lin Xinsheng Zhao Guangmin Zhou Xiaoxiao Li School of physics and Electronic Engineering Jiangsu Normal University Tsinghua-Berkeley Shenzhen Institute & Tsinghua Shenzhen International Graduate School Tsinghua University

An ever-increasing market demand has stimulated the soaring enthusiasm of researchers to develop wide-temperature supercapacitors(SCs). The active electrode is one of the most important parts of SC, which is directly related to the energy density,power transmission and long-term cyclability of the device in the wide-temperature environment. Compared with the SC electrodes aimed for room-temperature application, the SC electrodes for operating at wide-temperature scene often face greater challenges. In this review, the main challenges of SC electrodes under various temperature conditions, including low, high and cross-fade temperatures, are summarized. The relevant performance decay and failure mechanisms of wide-temperature SC electrodes are analyzed. In addition, this review deals with the recent studies and developments in robust wide-temperature SC electrodes with respect to the rational design of electrode structures and the exploitation of advanced active materials. Finally, the future directions for exploring reliable wide-temperature SCs are also proposed.

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