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Chlorinated polymerized small molecule acceptor enabling ternary all-polymer solar cells with over 16.6% efficiency

Science China Chemistry 2022年第5期65卷 954-963页

作者： Ke Hu Jiaqi Du can zhu Wenbin Lai Jing Li Jingming Xin Wei Ma Zhanjun Zhang Jinyuan Zhang Lei Meng Yongfang Li School of Chemical Science University of Chinese Academy of SciencesBeijing 100049China Beijing National Laboratory for Molecular Sciences CAS Key Laboratory of Organic SolidsInstitute of ChemistryChinese Academy of SciencesBeijing 100190China Key Laboratory of Photochemical Conversion and Optoelectronic Materials Technical Institute of Physics and ChemistryChinese Academy of SciencesBeijing 100190China State Key Laboratory for Mechanical Behavior of Materials Xi’an Jiaotong UniversityXi’an 710049China Laboratory of Advanced Optoelectronic Materials Suzhou Key Laboratory of Novel Semiconductor-optoelectronics Materials and DevicesCollege of ChemistryChemical Engineering and Materials ScienceSoochow UniversitySuzhou 215123China

Recently,all-polymer solar cells(all-PSCs) based on polymerized small molecule acceptors(PSMAs) have achieved significant progress.Ternary blending has proven to be an effective strategy to further boost the power conversion efficiency(PCE) of the all-PSCs.Herein,a new A-DA′D-A small-molecule acceptor-based PSMA(named as PYCl-T) was designed and synthesized,which possesses similar polymer backbone with the widely used PY-IT,but with chlorine substitution on the A-end groups in the A-DA′D-A structure.PYCl-T was then employed as the third component into the PM6:PY-IT system and the ternary all-PSCs based on PM6:PY-IT:PYCl-T demonstrated a high PCE of 16.62%(certified value of 16.3%).Moreover,the PCE of 15.52% was realized in the enlarged ternary all-PSCs with effective area of 1 cm^(2),indicating the great potential in large-scale applications.Moreover,the optimized ternary blend films of PM6:PY-IT:PYCl-T show excellent thermal stability at 150 ℃.This work demonstrates that the utilization of a ternary blend system involving two well-compatible PSMA polymer acceptors is an effective strategy to boost the performance of the all-PSCs.

关键词： all-polymer solar cells polymerized small molecular acceptors chlorine substitution ternary all polymer solar cells stability

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Edge and lithium concentration effects on intercalation kinetics for graphite anodes

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Journal of Energy Chemistry 2024年第3期90卷 337-347,I0009页

作者： Keming zhu Denis Kramer Chao Peng School of Mechanical and Precision Instrument Engineering Xi'an University of TechnologyXi'an 710048ShanxiChina Faculty of Mechanical Engineering Helmut-Schmidt UniversityHamburg 22043Germany School of Engineering University of SouthamptonSouthampton SO171BJUK Multiscale Crystal Materials Research Center Shenzhen Institute of Advanced TechnologyChinese Academy of SciencesShenzhen 518055GuangdongChina

Graphite interfaces are an important part of the anode in lithium-ion batteries(LIBs),significantly influencing Li intercalation kinetics.Graphite anodes adopt different stacking sequences depending on the concentration of the intercalated Li ions.In this work,we performed first-principles calculations to comprehensively address the energetics and dynamics of Li intercalation and Li vacancy diffusion near the no n-basal edges of graphite,namely the armchair and zigzag-edges,at high Li concentration.We find that surface effects persist in stage-Ⅱ that bind Li strongly at the edge sites.However,the pronounced effect previously identified at the zigzag edge of pristine graphite is reduced in LiC_(12),penetrating only to the subsurface site,and eventually disappearing in LiC_(6).Consequently,the distinctive surface state at the zigzag edge significantly impacts and restrains the charging rate at the initial lithiation of graphite anodes,whilst diminishes with an increasing degree of lithiation.Longer diffusion time for Li hopping to the bulk site from either the zigzag edge or the armchair edge in LiC_(6) was observed during high state of charge due to charge repulsion.Effectively controlling Li occupation and diffusion kinetics at this stage is also crucial for enhancing the charge rate.

关键词： Graphite anode Edge Interface Lithium-ion batteries Density functional theory

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Heat Storage Performance of PCM in a Novel Vertical Pointer-Shaped Finned Latent Heat Tank

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Journal of Thermal Science 2024年第2期33卷 422-434页

作者： MAO Qianjun zhu Yuanyuan LI Tao School of Urban Construction Wuhan University of Science and TechnologyWuhan430065China

The heat storage performance of latent heat storage systems is not good due to the poor thermal conductivity of phase change materials.In this paper,a new type of pointer-shaped fins combining rectangular and triangular fins has been employed to numerically simulate the melting process in the heat storage tank,and the fin geometry parameter effects on heat storage performance have been studied.The results indicate that compared with the bare tube and the rectangular finned tank,the melting time of the phase change material in the pointer-shaped finned tank is reduced by 64.2%and 15.1%,respectively.The closer the tip of the triangular fin is to the hot wall,the better the heat transfer efficiency.The optimal height of the triangular fin is about 8 mm.Increasing the number of fins from 4 to 6 and from 6 to 8 reduces the melting time by 16.0%and 16.7%respectively.However,increasing the number of fins from 8 to 10 only reduces the melting time by 8.4%.When the fin dimensionless length is increased from 0.3 to 0.5 and from 0.5 to 0.7,the melting time is shortened by 17.5%and 13.0%.But the melting time is only reduced by 2.9%when the dimensionless fin length is increased from 0.7 to 0.9.For optimising the design of the thermal storage system,the results can provide a reference value.

关键词： thermal energy storage phase change material pointer-shaped fins heat storage performance

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Dynamic characteristics of multi-span spinning beams with elastic constraints under an axial compressive force

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Applied Mathematics and Mechanics(English Edition) 2024年第2期45卷 295-310页

作者： Xiaodong GUO zhu SU Lifeng WANG State Key Laboratory of Mechanics and Control for Aerospace Structures Nanjing University of Aeronautics and AstronauticsNanjing 210016China

A theoretical model for the multi-span spinning beams with elastic constraints under an axial compressive force is proposed.The displacement and bending angle functions are represented through an improved Fourier series,which ensures the continuity of the derivative at the boundary and enhances the convergence.The exact characteristic equations of the multi-span spinning beams with elastic constraints under an axial compressive force are derived by the Lagrange equation.The efficiency and accuracy of the present method are validated in comparison with the finite element method(FEM)and other methods.The effects of the boundary spring stiffness,the number of spans,the spinning velocity,and the axial compressive force on the dynamic characteristics of the multi-span spinning beams are studied.The results show that the present method can freely simulate any boundary constraints without modifying the solution process.The elastic range of linear springs is larger than that of torsion springs,and it is not affected by the number of spans.With an increase in the axial compressive force,the attenuation rate of the natural frequency of a spinning beam with a large number of spans becomes larger,while the attenuation rate with an elastic boundary is lower than that under a classic simply supported boundary.

关键词： multi-span spinning beam elastic constraint improved Fourier series free vibration semi-analytical solution

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Carbon emission quantification and reduction in pavement use phase:A review

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Journal of Traffic and Transportation Engineering(English Edition) 2024年第1期11卷 69-91页

作者： Linjie zhu Jin Li Feipeng Xiao Key Laboratory of Road and Traffic Engineering of Ministry of Education Tongji UniversityShanghai 201804China

The carbon emissions arising from road pavement infrastructures have emerged as critical issue in recent years.The life cycle of a pavement can be divided into five phases,namely raw materials and production,construction,use,maintenance and end of life.While the use phase generates the highest carbon emissions throughout the pavement's life cycle,it is usually neglected in most pavement life cycle assessment(LCA)studies due to its complexity and uncertainty.Therefore,this review selected 126 relevant references,focuses on quantification methods,influential factors and reduction technologies of carbon emissions in pavement use phase.Among the carbon accounting approached,the LCA approach,remains the most widely used for evaluating the environmental impact of pavements.Second,the primary influential factors on the use phase'carbon emission include pavement-vehicle interaction primarily affected by pavement roughness,pavement albedo and climate change.Most influential factors above indirectly cause changes in carbon emissions by influencing the pavement performance and subsequent vehicle emissions.Finally,the review surveys carbon emission reduction technologies during pavement use phase,focusing mainly on reducing pavement rolling resistance and constructing cool pavements.Reflective pavements and permeable pavements are the most widely used cool pavement technologies.Overall,the aspects involved in this paper hold significant promise for quantifying and reducing carbon emissions in the pavement use phase.

关键词： Pavement Carbon emission Life cycle assessment Use phase Emission reduction

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Dual-functional poly(2-methyl-2-oxazoline)/poly(2-(dimethylamine)ethyl methacrylate)mixed brushes with switchable protein adsorption and antibacterial properties

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Chinese Journal of Chemical Engineering 2024年第2期66卷 19-30页

作者： Kang He Liangyu zhu Yanmei Wang CAS Key Laboratory of Soft Matter Chemistry Department of Polymer Science and EngineeringUniversity of Science and Technology of ChinaHefei 230026China

Herein,binary mixed brushes consisting of poly(2-methyl-2-oxazoline)(PMOXA)and poly(2-(dimethylamine)ethyl methacrylate)(PDMAEMA)with different chain lengths were fabricated by successive grafting of NH_(2)-terminated PMOXA and SH-terminated PDMAEMA onto polydopamine-anchored substrates.The mixed-brush coating was characterized by variable-angle spectroscopic ellipsometry,X-ray photoelectron spectroscopy,Fourier transform infrared spectroscopy,zeta potential measurements,water contact angle,and atomic force microscopy.The mixed brushes showed tunable surface charge,wettability,and surface roughness,depending on the degree of PDMAEMA swelling under varying pH and ionic strength(Ⅰ).Then the adsorption behaviors of pepsin,bovine serum albumin(BSA),γ-globulin,and lysozyme,four very different proteins with regard to isoelectric point,on the mixed brushes coating were studied by using fluorescence microscopy and surface plasmon resonance.When the chain length of PDMAEMA was about twice as long as PMOXA,the mixed brushes not only had high adsorption capacity for pepsin,BSA,and y-globulin but also had a desorption efficiency of 86.9%,87.1%,and 93.5%,respectively.It is explained that electrostatic attraction between the protonated PDMAEMA and positively charged acidic proteins(pepsin and BSA,whose isoelectric points were below the pK_(a) of PDMAEMA)would drive the intensive adsorption(at pH 3,I=10^(-3)mol·L^(-1)for pepsin,and pH 5,I=10^(-5)mol·L^(-1)for BSA),while desorption was dominated by the hydrophilic PMOXA when PDMAEMA was shrinking(at pH 7,I=10^(-1)mol·L^(-1)for pepsin,and pH 9,I=10^(-1)mol·L^(-1)for BSA).Furthermore,the isoelectric precipitation led to the adsorption of neutral protein(γ-globulin,whose isoelectric point was near the pK_a of PDMAEMA)at pH 7,I=10^(-5)mol·L^(-1),while electrostatic repulsion and antifouling PMOXA triggered the desorption of y-globulin at pH 3,I-10^(-1)mol·L^(-1).However,alkaline protein(lysozyme,whose isoelectric point was higher than the pK_(a) of PDMAEMA)exhibited slight adsorptio

关键词： Switchable conformation transition Controllable protein adsorption Mixed brushes Isoelectric point Antibacterial surface

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Measuring Financial Systemic Risk:Net Liability Clearing Mechanism and Contagion Effect

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Journal of Systems Science & Complexity 2024年第3期37卷 1114-1146页

作者： MA Jiali zhu Shushang LI Duan College of Big Data Statistics Guizhou University of Finance and EconomicsGuiyang 550025China School of Business Sun Yat-Sen UniversityGuangzhou 510275China School of Data Science City University of Hong KongHong Kong 999077China

Following the framework of E-N model(Eisenberg and Noe,2001),the authors consider a new clearing mechanism based on net liabilities among financial institutions since the liabilities between the counterparties should be deducted accordingly when clearing in practice.As the basis for systemic risk measurement,similar to the original E-N model,the authors first establish some good properties for the clearing payment vector according to a more general model.Then,the authors investigate how risk spreads among institutions through the liability network forming the risk contagion channel.Finally,the authors illustrate with a specific example that the original E-N clearing mechanism may misidentify the systemic important institutions,and theoretically show that it may also overestimate the risk compared with the netting clearing mechanism.

关键词： Clearing mechanism contagion net liability network systemic risk

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Distributed Least Squares Algorithm of Continuous-Time Stochastic Regression Model Based on Sampled Data

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Journal of Systems Science & Complexity 2024年第2期37卷 609-628页

作者： zhu Xinghua GAN Die LIU Zhixin The Key Laboratory of Systems and Control Academy of Mathematics and Systems ScienceChinese Academy of Sciencesand School of Mathematical SciencesUniversity of Chinese Academy of SciencesBeijing 100190China Zhongguancun Laboratory Beijing 100094China

In this paper,the authors consider the distributed adaptive identification problem over sensor networks using sampled data,where the dynamics of each sensor is described by a stochastic differential equation.By minimizing a local objective function at sampling time instants,the authors propose an online distributed least squares algorithm based on sampled data.A cooperative non-persistent excitation condition is introduced,under which the convergence results of the proposed algorithm are established by properly choosing the sampling time interval.The upper bound on the accumulative regret of the adaptive predictor can also be provided.Finally,the authors demonstrate the cooperative effect of multiple sensors in the estimation of unknown parameters by computer simulations.

关键词： Cooperative excitation condition distributed least squares regret sampled data stochastic differential equation

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Morphology of impact fragmentation distribution of single spherical and ellipsoidal particles in drop weight experiments

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Particuology 2024年第3期86卷 137-148页

作者： Qiuhua Miao Peng Huang Wenchang zhu School of Mechanical Engineering Southeast UniversityNanjing211189China

Particle shape is an important factor affecting the fragmentation distribution of the ore particles.To investigate the influence of particle shape on the morphological fragmentation distribution characteristics,the crushable ore particles are defined as prolate,oblate ellipsoid and spherical particles,which have different aspect ratios(AR)and sphericity(S).Based on the drop weight experiment,the influence of the net drop height on the macroscopic mechanical behavior and crushing distribution characteristics of the single spherical and ellipsoidal particles is studied.The results show that different peak-shifting characteristics exist during particle fragmentation.The fragmentation distribution peak shifts left when the increased impact energy is eventually only enough to break medium-sized sub-particles.Conversely,it shifts right when impact energy is increased enough to break largest-sized sub-particles.Besides,regardless of whether the net drop height changes,the maximum continuous fragmentation degree presents"M"-shaped characteristic with the increased AR.Compared with the ellipsoid particles,the single spherical particle is more difficult to be broken by impact,with wider equivalent particle fragmentation distribution.With the increase of particle sphericity,the maximum continuous fragmentation degree of a single ellipsoid particle has an overall trend of initial increase and subsequent decrease.Especially when particle sphericity is 0.9

关键词： Ellipsoid particles Fragmentation distribution Drop weight experiment Numerical simulation

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A General Simulation Method for Complex Deformation of Irregular-Shaped Origami Configurations

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Acta Mechanica Solida Sinica 2024年第1期37卷 90-98页

作者： Zhaochen Dong Yichao zhu Xu Guo State Key Laboratory of Structural Analysis for Industrial Equipment Department of Engineering MechanicsInternational Research Center for Computational MechanicsDalian University of TechnologyDalian 116023China

Most existing treatments for origami-folding simulations have focused on regular-shaped configurations.This article aims to introduce a general strategy for simulating and analyzing the deformation process of irregular shapes by means of computational capabilities nowadays.To better simulate origami deformation with folding orders,the concept of plane follow-up is introduced to achieve automated computer simulation of complex folding patterns,thereby avoiding intersection and penetration between planes.Based on the evaluation criteria such as the lowest storage energy with tightening and the fastest pace from tightening to unfolding,the optimal crease distribution patterns for four irregular(‘N’-,‘T’-,‘O’-,and‘P’-shaped)origami configurations are then presented under five candidates.When the dimensions of the origami are fixed,it is discovered that simpler folding patterns lead to faster deformation of the origami configuration.When the folding complexity is fixed,higher strain energy results in more rapid origami expansion.

关键词： Irregular-shaped origami Complex deformation Computer-aided origami design General simulation

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