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Regulating the Electron-Deficient Component in A-DA1D-A Typed Small-Molecule Acceptors for High-Performance Organic Solar Cells

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Chinese Journal of Chemistry 2024年第6期42卷 623-630页

作者： Weifei Wei Ruijie Ma Zhanxiang Chen Tongle Xu Gang Li Zhenghui Luo Shenzhen Key Laboratory of New Information Display and Storage Materials College of Materials Science and EngineeringShenzhen UniversityShenzhenGuangdong518060 China department of electronic and Information engineering Research Institute for Smart Energy (RISE)The Hong Kong Polytechnic UniversityHung HomKowloonHong Kong999077 China

Fine-tuning of the electron-deficient unit in A-DA1D-A typed small-molecule acceptors (SMAs) plays a crucial role in developing efficient SMAs for organic solar cells (OSCs).Here,we developed a SMA based on benzo[4,5]thieno[2,3-b]quinoxaline,designated as QW1,as well as three SMAs based on 1-methylindoline-2,3-dione,identified as QW2,QW3,and *** with QW2,QW1 displays slightly blue-shifted absorption spectra and a lower LUMO energy level due to the stronger electron-withdrawing capability of BTQx in contrast to *** the other hand,the introduction of a bromine atom in QW3 and QW4 causes a blue shift in absorption and a reduction in the LUMO energy level compared to *** functional theory analysis reveals that QW1 exhibits the best molecular planarity,which endows QW1 with larger electron mobility and tighter molecular ***,PM6:QW1 device affords a better efficiency of 15.63% than those of the devices based on QW2 (14.25%),QW3 (13.21%) and QW4 (15.03%).Moreover,the QW4-based device yields the highest open-circuit voltage of 0.933 V,and the PM6:L8-BO:QW4 ternary device realizes a PCE of 19.03%.Overall,our work demonstrates that regulation of electron-deficient central units is an effective strategy to improve the photovoltaic performance of the resulting A-DA1D-A SMAs.

关键词： Organic solar cells Small-molecule acceptor Electron-deficient unit Energy conversion efficiency Renewable resources π-πstacking Green chemistry

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AI-enabled materials discovery for advanced ceramic electrochemical cells

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Energy and AI 2024年第1期15卷 55-87页

作者： Idris Temitope Bello Ridwan Taiwo Oladapo Christopher Esan Adesola Habeeb Adegoke Ahmed Olanrewaju Ijaola Zheng Li Siyuan Zhao Chen Wang Zongping Shao Meng Ni department of Building and Real Estate Research Institute for Sustainable Urban Development(RISUD)&Research Institute for Smart Energy(RISE)The Hong Kong Polytechnic UniversityHung HomKowloonHong KongChina department of Mechanical engineering The Hong Kong Polytechnic UniversityHung HomKowloonHong KongChina department of Civil engineering University of JohannesburgSouth Africa department of Mechanical engineering Wichita State UniversityKansasUSA WA School of Mines:Minerals Energy and Chemical EngineeringCurtin UniversityPerthWestern Australia6845Australia

Ceramic electrochemical cells(CECs)are promising devices for clean and efficient energy conversion and storage due to their high energy efficiency,more extended system durability,and less expensive ***,the search for suitable materials with desired properties,including high ionic and electronic conductivity,thermal stability,and chemical compatibility,presents ongoing challenges that impede widespread adoption and further advancement in the *** intelligence(AI)has emerged as a versatile tool capable of enhancing and expediting the materials discovery cycle in CECs through data-driven modeling,simulation,and optimization ***,we comprehensively review the state-of-the-art AI applications for materials design and optimization for CECs,covering various material aspects,database construction,data pre-processing,and AI *** also present some representative case studies of AI-predicted and synthesized materials for CECs and provide insightful highlights about their *** emphasize the main implications and contributions of the AI approach for advancing the CEC technology,such as reducing the trial-and-error experiments,exploring the vast materials space,discovering novel and optimal materials,and enhancing the understanding of the materials-performance *** also discuss the AI approach’s main limitations and future directions for CECs,such as addressing the data and model challenges,improving and extending the AI models and methods,and integrating with other computational and experimental *** conclude by suggesting some potential applications and collaborations for AI in materials design for CECs.

关键词： Ceramic electrochemical cells Artificial intelligence Materials design Materials optimization Materials performance Machine learning

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A Dynamic Forecasting System with Applications in Production Logistics

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厦门大学学报（自然科学版） 2002年第S1期41卷 133-134页

作者： CHEUNG Chi-fai LEE Wing-bun LO Victor department of Industrial and Systems engineering The Hong Kong Polytechnic University Hung HomDepartment of Industrial and Systems EngineeringThe Hong Kong Polytechnic University Hung Hom Kowloon Hong Kong ChinaKowloonHong Kong China Kaz (Fast East) Ltd Room 1705-07Kodak House II39 Healthy Street EastNorth Point Hong Kong China

Production logistics involve the co-ordination of ac tivities such as production and materials control (PMC), inventory management, p roduct life cycle management, etc. Those activities demand for an accurate forec asting model. However, the conventional methods of making sell and buy decision based on human forecast or conventional moving average and exponential smoothing methods is no longer be sufficient to meet the future need. Furthermore, the un derlying statistics of the market information change from time to time due to a number of reasons such as change of global economic environment, government poli cies and business risks. This demands for highly adaptive forecasting model which is robust enough to response and adapt well to the fast changes in the dat a characteristics, in other words, the trajectory of the "dynamic characteristic s" of the data. In this paper, an adaptive time-series modelling method was proposed for short -term dynamic forecasting. The method employs an autoregressive (AR) time-seri es model to carry out the forecasting process. A modified least mean square (MLM S) adaptive filter algorithm was established for adjusting the AR model coeffici ents so as to minimise the sum of squared of forecasting errors. A prototype dyn amic forecasting system was built based on the adaptive time-series modelling m ethod. Basically, the dynamic forecasting system can be divided into two phases, i.e. the Learning Phase and the Application Phase. The learning procedures star t with the determination of upper limit of the adaptation gain based on the conv ergence in the mean square criterion. Hence, the optimum ELMS filter parameters are determined using an iteration algorithm which changes each filter parameter i.e. the order, the adaptation gain andthe values initial coefficient vector on e by one inside a predetermined iteration range. The set of parameters which giv es the minimum value for sum of squared errors within the iteration range is sel ecte

关键词： adaptive time-series model dynamic forecasting production logistics modified least mean square algorithm

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The dispersion characteristics of the waves propagating in a spinning single-walled carbon nanotube

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Science China(Physics,Mechanics & Astronomy) 2011年第10期Mechanics & Astronomy) .卷 1854-1865页

作者： CHAN K. T.1& ZHAO YaPu2*1Mechanical engineering department, The hong kong polytechnic University, hung hom, hong kong, China 2State Key Laboratory of Nonlinear Mechanics (LNM), Institute of Mechanics, Chinese Academy of Sciences, Beijing 100190, China 1. Mechanical engineering department The Hong Kong Polytechnic University Hung Hom Hong Kong China2. State Key Laboratory of Nonlinear Mechanics (LNM) Institute of Mechanics Chinese Academy of Sciences Beijing 100190 China

As the nano-motor becomes a mechanical reality, its prototype can be envisaged as nano-sized rotating machinery at a situation,albeit for different purposes, like that in the first half of the 20th century during which rotor dynamics has contributed toboosting machine power capacity. Accordingly, we take the benefit of hindsight to develop a classical framework of vibrationanalysis. Essentially, the equations of motion are formulated to cope with both the special carbon-nanotube properties and thefirst author’s previously developed spinning beam formalism, establishing a model satisfactorily verified by some availablemolecular dynamics (MD) data and classical spinning beam results extracted from the literature. The model is inexpensivebased on continuum mechanics as an alternative to the less-flexible MD method for simulating wave motion of the spinningsingle-walled carbon nanotube, yielding several interesting phenomena, including the fall-off and splitting of the wave charac-teristic curves and the unexpected gyroscopic phase property. Potential applications are proposed.

关键词： spinning single-walled carbon nanotube gyroscopic phase property nonlocal elasticity nonlocal Timoshenko beamtheory

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Atomic-scale dissecting the formation mechanism of gradient nanostructured layer on Mg alloy processed by a novel high-speed machining technique

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Journal of Materials Science & Technology 2021年第23期82卷 227-238页

作者： Hui Fu Xiaoye Zhou Bo Wu Lei Qian Xu-Sheng Yang State Key Laboratory of Ultra-precision Machining Technology Advanced Manufacturing Technology Research CentreDepartment of Industrial and Systems EngineeringThe Hong Kong Polytechnic UniversityHung HomKowloonHong KongChina hong kong polytechnic University Shenzhen Research Institute ShenzhenChina Guangdong Province Key Laboratory of Durability for Marine Civil engineering School of Civil EngineeringShenzhen UniversityShenzhen 518060China

Severe plastic deformation(SPD)-induced gradient nanostructured(GNS)metallic materials exhibit superior mechanical performance,especially the high strength and good *** this study,a novel high-speed machining SPD technique,namely single point diamond turning(SPDT),was developed to produce effectively the GNS layer on the hexagonal close-packed(HCP)structural Mg *** high-resolution transmission electron microscopy observations and atomistic molecular dynamics simulations were mainly performed to atomic-scale dissect the grain refinement process and corresponding plastic deformation mechanisms of the GNS *** was found that the grain refinement process for the formation of the GNS Mg alloy layer consists of elongated coarse grains,lamellar fine grains with deformation-induced-tension twins and contraction twins,ultrafine grains,and nanograins with the grain size of~70 nm along the direction from the inner matrix to ***,experiment results and atomistic simulations reveal that these deformation twins are formed by gliding twinning partial dislocations that are dissociated from the lattice dislocations piled up at grain *** corresponding deformation mechanisms were evidenced to transit from the deformation twinning to dislocation slip when the grain size was below 2.45μ***,the Hall-Petch relationship plot and the surface equivalent stress along the gradient direction estimated by finite element analysis for the SPDT process were incorporated to quantitatively elucidate the transition of defo rmation mechanisms during the grain refinement *** findings have implications for the development of the facile SPD technique to construct high strength-ductility heterogeneous GNS metals,especially for the HCP metals.

关键词： Gradient nanostructured Mg alloy High-speed machining Deformation twinning High-resolution transition electron microscopy Hall-Petch relationship

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Amorphous phosphorus chalcogenide as an anode material for lithiumion batteries with high capacity and long cycle life

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Journal of Energy Chemistry 2022年第5期31卷 658-668页

作者： Jiale Yu Haiyan Zhang Yingxi Lin Junyao Shen Yiwen Xie Xifeng Huang Qiong Cai Haitao Huang School of Materials and Energy Guangdong University of TechnologyGuangzhou 510006GuangdongChina department of Chemical and Process engineering University of SurreyGuildford GU27XHUK department of Applied Physics The Hong Kong Polytechnic UniversityHung HomKowloonHong Kong 999077China

The ever-increasing demands for modern energy storage applications drive the search for novel anode materials of lithium(Li)-ion batteries(LIBs) with high storage capacity and long cycle life, to outperform the conventional LIBs anode materials. Hence, we report amorphous ternary phosphorus chalcogenide(aP_(4)SSe_(2)) as an anode material with high performance for LIBs. Synthesized via the mechanochemistry method, the a-P_(4)SSe_(2) compound is endowed with amorphous feature and offers excellent cycling stability(over 1500 mA h g^(-1) capacity after 425 cycles at 0.3 A g^(-1)), owing to the advantages of isotropic nature and synergistic effect of multielement forming Li-ion conductors during battery operation. Furthermore,as confirmed by ex situ X-ray diffraction(XRD) and transmission electron microscope(TEM), the a-P_(4)SSe_(2)anode material has a reversible and multistage Li-storage mechanism, which is extremely beneficial to long cycle life for batteries. Moreover, the autogenous intermediate electrochemical products with fast ionic conductivity can facilitate Li-ion diffusion effectively. Thus, the a-P_(4)SSe_(2)electrode delivers excellent rate capability(730 mA h g^(-1)capacity at 3 A g^(-1)). Through in situ electrochemical impedance spectra(EIS) measurements, it can be revealed that the resistances of charge transfer(R_(SEI)) and solid electrolyte interphase(R_(Ct)) decrease along with the formation of Li-ion conductors whilst the ohmic resistance(R_(Ω)) remains unchanged during the whole electrochemical process, thus resulting in rapid reaction kinetics and stable electrode to obtain excellent rate performance and cycling ability for LIBs. Moreover, the formation mechanism and electrochemical superiority of the a-P_(4)SSe_(2)phase, and its expansion to P_(4)S_(3-x)Se_(x)(x = 0, 1, 2, 3) family can prove its significance for LIBs.

关键词： Lithium-ion batteries Amorphous anode materials Lithium ionic conductor High capacity Long cycle life

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Towards designing high mechanical performance low-alloyed wrought magnesium alloys via grain boundary segregation strategy:A review

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Journal of Magnesium and Alloys 2024年第5期12卷 1774-1791页

作者： Zhi Zhang Jinshu Xie Jinghuai Zhang Xu-Sheng Yang Ruizhi Wu Key Laboratory of Superlight Material and Surface Technology Ministry of EducationCollege of Materials Science and Chemical EngineeringHarbin Engineering UniversityHarbin 150001China State Key Laboratory of Ultra-Precision Machining Technology Department of Industrial and Systems EngineeringThe Hong Kong Polytechnic UniversityHung HomKowloonHong KongChina hong kong polytechnic University Shenzhen Research Institute Shenzhen 518060China

Low-alloyed magnesium(Mg)alloys have emerged as one of the most promising candidates for lightweight ***,their further application potential has been hampered by limitations such as low strength,poor plasticity at room temperature,and unsatisfactory *** address these challenges,grain refinement and grain structure control have been identified as crucial factors to achieving high performance in low-alloyed Mg *** effective way for regulating grain structure is through grain boundary(GB)*** review presents a comprehensive summary of the distribution criteria of segregated atoms and the effects of solute segregation on grain size and growth in Mg *** analysis encompasses both single element segregation and multi-element co-segregation behavior,considering coherent interfaces and incoherent ***,we introduce the high mechanical performance low-alloyed wrought Mg alloys that utilize GB segregation and analyze the potential impact mechanisms through which GB segregation influences materials *** upon these studies,we propose strategies for the design of high mechanical performance Mg alloys with desirable properties,including high strength,excellent ductility,and good formability,achieved through the implementation of GB *** findings of this review contribute to advancing the understanding of grain boundary engineering in Mg alloys and provide valuable insights for future alloy design and optimization.

关键词： Magnesium alloys Grain boundary segregation High strength High plasticity High formability

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Microstructure and Wear Behaviour of Laser-induced Thermite Reaction Al_2O_3 Ceramic Coating on AA7075 Aluminum Alloy

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Journal of Materials Science & Technology 2007年第2期23卷 201-206页

作者： Kaijin HUANG Xin LIN Changsheng XIE T.M. Yue State Key Laboratory of Plastic Forming Simulation and Mould Technology Huazhong University of Science and Technology Wuhan 430074 China State Key Laboratory of Solidification Processing Northwestern Polytechnic University Xi＇an 710072 China department of Industrial and Systems engineering Hong Kong Polytechnic University Hung Hom Hong Kong China

The microstructure and wear behaviour of the thermite reaction coating produced by the hybrid laser claddingremelting on AA7075 aluminum alloy for the systems of Al-CuO-SiO2, Al-Cr2O3-SiO2, Al-Fe2O3-SiO2, and Al-TiO2-SiO2 were studied. The results of the X-ray diffraction （XRD） analysis show that in all the four reaction coatings, α-Al2O3 and γ-Al2O3 phases were present at the top surface, together with various intermetallic phases, the corresponding reduced metal and Al phase in the fusion zone. Under the dry sliding condition, the wear resistance, in terms of weight loss, of the laser-clad specimens was considerably higher than that of the untreated specimen. The predominant wear mechanism of the former specimens was abrasive wear, while for the latter, it was the adhesive wear that prevailed.

关键词： Laser cladding Thermite reaction Aluminum alloy Wear

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How do Normal Traders and Sharp Traders Make Profits in the Chinese Security Market?

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Journal of Systems Science and Systems engineering 2020年第2期29卷 203-234页

作者： Mingyang Zhang Juliang Zhang TCECheng Guowei Hua department of Management Science and engineering School of Economics and ManagementBeijing Forestry UniversityBeijing 100083China department of Management Science and engineering School of Economics and ManagementBeijing Jiaotong UniversityBeijing 100044China department of Logistics and Maritime Studies The Hong Kong Polytechnic UniversityHung HomKowloonHong Kong SAR

In this paper,we consider the strategic interaction between the normal and sharp traders in a dynamic limit-order security market and its impact on the Chinese security market at different market volatility *** find that when the proportion of sharp traders is less than a threshold in an orderdriven market,the sharp traders who submit limit orders will get more returns than the normal *** participation of sharp traders in the market can increase the total social welfare of all the *** addition,we show that:(1)when the market volatility level is generally low,the short-term sharp traders benefit from larger volatility;(2)when the market volatility level is generally high,the insider/cheating sharp traders with high-frequent trading rather than the short-term sharp traders benefit from extreme high volatility;(3)when the market volatility level is moderate,the sharp traders can increase market liquidity.

关键词： Sharp trader order-driven market limit-order strategic interaction

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A coupled cryogenic thermo-hydro-mechanical model for frozen medium:Theory and implementation in FDEM

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Journal of Rock Mechanics and Geotechnical engineering 2024年第11期16卷 4335-4353页

作者： Lei Sun Xuhai Tang Kareem Ramzy Aboayanah Qi Zhao Quansheng Liu Giovanni Grasselli department of Civil and Mineral engineering University of TorontoTorontoONM5S 1A4Canada School of Civil engineering Wuhan UniversityWuhan430072China department of Civil and Environmental engineering The Hong Kong Polytechnic UniversityHung HomHong KongChina

This paper presents the development of a coupled modeling approach to simulate cryogenic thermo-hydro-mechanical(THM)processes associated with a freezing medium,which is then implemented in the combined finite-discrete element method code(FDEM)for multi-physics *** governing equations are deduced based on energy and mass conservation,and static equilibrium equations,considering water/ice phase change,where the strong couplings between multi-fields are supplemented by critical coupling parameters(*** water content,permeability,and thermal conductivity).The proposed model is validated against laboratory and field *** show that the cryogenic THM model can well predict the evolution of strongly coupled processes observed in frozen media(*** transfer,water migration,and frost heave deformation),while also capturing,as emergent properties of the model,important phenomena(*** heat,cryogenic suction,ice expansion and distinct three-zone distribution)caused by water/ice phase change at laboratory and field scales,which are difficult to be all revealed by existing THM *** novel modeling framework presents a gateway to further understanding and predicting the multi-physical coupling behavior of frozen media in cold regions.

关键词： Thermo-hydro-mechanical(THM)coupling Low temperature Heat transfer Water migration Frost heave Combined finite-discrete element method(FDEM)

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