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Molecular packing tuning via chlorinated end group enables efficient binary organic solar cells over 18.5%

Carbon Energy 2024年第3期6卷 196-203页

作者： Yafeng Li Zhenyu Chen Xingzheng Yan Ziyi Ge Zhejiang Business technology Institute NingboZhejiangChina Zhejiang engineering research center for Energy Optoelectronic Materials and Devices Ningbo Institute of Materials Technology and EngineeringChinese Academy of SciencesNingboZhejiangChina center of Materials Science and Optoelectronics engineering University of Chinese Academy of SciencesBeijingChina

Designing novel nonfullerene acceptors(NFAs)is of vital importance for the development of organic solar cells(OSC).Modification on the side chain and end group are two powerful tools to construct efficient ***,based on the high-performance L8BO,we selected 3-ethylheptyl to substitute the inner chain of 2-ethylhexyl,obtaining the backbone of *** we introduced different halogen atoms of fluorine and chlorine on 2-(3-oxo-2,3-dihydro-1Hinden-1-ylidene)malononitrile end group(EG)to construct efficient NFAs named BON3-F and BON3-Cl,*** donor D18 was chosen to combine with two novel NFAs to construct OSC ***,D18:BON3-Cl-based device shows a remarkable power conversion efficiency(PCE)of 18.57%,with a high open-circuit voltage(V_(OC))of 0.907 V and an excellent fill factor(FF)of 80.44%,which is one of the highest binary PCE of devices based on D18 as the ***,BON3-F-based device shows a relatively lower PCE of 17.79%with a decreased FF of 79.05%.The better photovoltaic performance is mainly attributed to the red-shifted absorption,higher electron and hole mobilities,reduced charge recombination,and enhanced molecular packing in the D18:BON3-Cl ***,we performed stability tests on two binary systems;the D18:BON3-Cl and D18:BON3-F devices maintain 88.1%and 85.5%of their initial efficiencies after 169 h of storage at 85°C in an N2-filled glove box,*** work demonstrates the importance of selecting halogen atoms on EG and provides an efficient binary system of D18:BON3-Cl for further improvement of PCE.

关键词： binary organic solar cell chlorinated end group molecular packing

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Accelerated design of high-performance Mg-Mn-based magnesium alloys based on novel bayesian optimization

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Journal of Magnesium and Alloys 2024年第2期12卷 750-766页

作者： Xiaoxi Mi Lili Dai Xuerui Jing Jia She Bjørn Holmedal Aitao Tang Fusheng Pan College of Materials Science and engineering Chongqing UniversityChongqing 400044China Southwest technology and engineering research Institute Chongqing 400039China National engineering research center for Magnesium Alloys Chongqing UniversityChongqing 400044China Department of Materials Science and engineering Norwegian University of Science and Technology(NTNU)Trondheim 7051Norway

Magnesium(Mg),being the lightest structural metal,holds immense potential for widespread applications in various *** development of high-performance and cost-effective Mg alloys is crucial to further advancing their commercial *** the rapid advancement of machine learning(ML)technology in recent years,the“data-driven''approach for alloy design has provided new perspectives and opportunities for enhancing the performance of Mg *** paper introduces a novel regression-based Bayesian optimization active learning model(RBOALM)for the development of high-performance Mg-Mn-based wrought *** employs active learning to automatically explore optimal alloy compositions and process parameters within predefined ranges,facilitating the discovery of superior alloy *** model further integrates pre-established regression models as surrogate functions in Bayesian optimization,significantly enhancing the precision of the design *** RBOALM,several new high-performance alloys have been successfully designed and ***,after mechanical property testing of the designed alloys,the Mg-2.1Zn-2.0Mn-0.5Sn-0.1Ca alloy demonstrates exceptional mechanical properties,including an ultimate tensile strength of 406 MPa,a yield strength of 287 MPa,and a 23%fracture ***,the Mg-2.7Mn-0.5Al-0.1Ca alloy exhibits an ultimate tensile strength of 211 MPa,coupled with a remarkable 41%fracture elongation.

关键词： Mg-Mn-based alloys High-performance Alloy design Machine learning Bayesian optimization

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Recent advances and applications of single atom catalysts based electrochemical sensors

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Nano research 2024年第4期17卷 2994-3013页

作者： Mingyue Wang Mingfu Ye Jieyue Wang Yong Xu Zhendong Wang Xinyue Tong Xinya Han Kui Zhang Wenhai Wang Konglin Wu Xianwen Wei Institute of Clean Energy and Advanced Nanocatalysis(iClean) School of Chemistry and Chemical EngineeringAnhui University of TechnologyMaanshan 243002China School of Materials Science and engineering Anhui University of TechnologyMaanshan 243002China Anhui International research center of Energy materials green manufacturing and biotechnology School of Chemistry and Chemical EngineeringAnhui University of TechnologyMaanshan 243002China Carbon Cycle and Emission Control research center Low-Carbon Research InstituteAnhui University of TechnologyMaanshan 243002China

Single atom catalysts(SACs)have attracted considerable attention due to their unique structures and excellent catalytic performance,especially in the area of catalysis science and energy conversion and *** recent years,SACs have emerged as a new type of sensing material for constructing electrochemical sensors(ECSs),presenting excellent sensitivity,selectivity,and ***,we review the recent advances of SACs in electrochemical sensing and discuss the status quo of current SAC-based ***,the fundamentals of SAC-based ECSs are outlined,including the involved central metal atoms and various supports of SACs in this field,the detection mechanisms,and improving strategies of SAC-based ***,the important applications of SAC-based ECSs are listed and classified,covering the detection of reactive oxygen and nitrogen species,environmental pollutants,disease biomarkers,and ***,based on abundant reported cases,the current conundrums of SAC-based ECSs are summarized,and the prediction of their future developing trends is also put forward.

关键词： single atom catalysts(SACs) electrochemical sensors(ECSs) reactive oxygen and nitrogen species environmental pollutants disease biomarkers pharmaceuticals

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The reaction mechanism and interfacial crystallization of Al nanoparticle-embedded Ni under shock loading

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Defence technology（防务技术） 2024年第3期33卷 114-124页

作者： Yifan Xie Jian-Li Shao Rui Liu Pengwan Chen State Key Laboratory of Explosion Science and technology Beijing Institute of TechnologyBeijing100081China Explosion Protection and Emergency Disposal technology engineering research center of the Ministry of Education Beijing100039China

The shock-induced reaction mechanism and characteristics of Ni/Al system,considering an Al nanoparticle-embedded Ni single crystal,are investigated through molecular dynamics *** the shock melting of Al nanoparticle,interfacial crystallization and dissolution are the main *** reaction degree of Al particle first increases linearly and then logarithmically with time driven by rapid mechanical mixing and following *** reaction rate increases with the decrease of particle diameter,however,the reaction is seriously hindered by interfacial crystallization when the diameter is lower than 9 nm in our ***,we found a negative exponential growth in the fraction of crystallized Al atoms,and the crystallinity of B2-NiAl(up to 20%)is positively correlated with the specific surface area of Al *** can be attributed to the formation mechanism of B2-NiAl by structural evolution of finite mixing layer near the collapsed *** shock melting of both Al particle and Ni matrix,the liquid-liquid phase inter-diffusion is the main reaction mechanism that can be enhanced by the formation of internal *** addition,the enhanced diffusion is manifested in the logarithmic growth law of mean square displacement,which results in an almost constant reaction rate similar to the mechanical mixing process.

关键词： Shock-induced reaction Molecular dynamics simulations Interfacial crystallization Reaction mechanism

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Nanocrystalline WSe_(2)excels at high-performance anode for Na storage via a facile one-pot hydrothermal method

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Tungsten 2024年第1期6卷 248-258页

作者： Hai-Yan Zou Lei Fang Gang Yu Dong Wang State Key Laboratory of Chem/Bio-Sensing and Chemometrics Provincial Hunan Key Laboratory for Graphene Materials and DevicesCollege of Chemistry and Chemical EngineeringHunan UniversityChangsha 410082China Changxing County Quality and technology Supervision and Testing center Huzhou 313100China

For the next large-scale energy storage systems,sodium-ion batteries(SIBs)with excellent electrochemical performance are ***,the exploration of anode materials with high specific capacity,fascinating cycling stability and rate capability is still *** transition metal dichalcogenides(TMDs),tungsten diselenide(WSe_(2))has been regarded as an effective anode material for SIBs and has been extensively studied,due to high theoretical capacity and unique twodimensional layered ***,nanocrystalline WSe_(2)is prepared by a facile one-pot hydrothermal *** with the micro-scale WSe_(2),benefiting from the high specific surface area of highly ordered nano-flake structures and short ion/electron transport paths,nanocrystalline WSe_(2)shows excellent electrochemical performance in Na *** 1000 cycles at a current density of 2 A·g^(-1),a high specific capacity of 264.4 mA·h·g^(-1)is still *** full cell matched with the Na_(3)V_(2)(PO_(4))_(3) cathode can deliver an excellent reversible specific capacity of 196.5 mA·h·g^(-1)after 100 cycles at 0.5 A·g^(-1).

关键词： Tungsten diselenide Transition metal dichalcogenides Hydrothermal Sodium-ion batteries Layered structure

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Resource Allocation for Channel Estimation in Reconfigurable Intelligent Surface-Aided Multi-Cell Networks

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Journal of Communications and Information Networks 2024年第1期9卷 64-79页

作者： Yining Xu Sheng Zhou Department of Electronic engineering Beijing National Research Center for Information Science and TechnologyTsinghua UniversityBeijing 100084China

Reconfigurable intelligent surface(RIS)is a promising solution to deal with the blockage-sensitivity of millimeter wave band and reduce the high energy consumption caused by network densification. However, deploying large scale RISs may not bring expected performance gain due to significant channel estimation overhead and non-negligible reflected *** this paper,we derive the analytical expressions of the coverage probability, area spectrum efficiency(ASE)and energy efficiency (EE)of a downlink RIS-aided multi-cell *** order to optimize the network performance, we investigate the conditions for the optimal number of training symbols of each antenna-to-antenna and antenna-to-element path (referred to as the optimal unit training overhead) in channel *** study shows that:1)RIS deployment is not“the more, the better”, only when blockage objects are dense should one deploy more RISs;2) the coverage probability is maximized when the unit training overhead is designed as large as possible;3)however,the ASE-and-EE-optimal unit training overhead exists. It is a monotonically increasing function of the frame length and a monotonically decreasing function of the average signal-to-noise-ratio (in the high signal-to-noise-ratio region). Additionally,the optimal unit training overhead is smaller when communication nodes deploy particularly few or many antennas.

关键词： reconfigurable intelligent surface multi-cell network directional transmissions channel estimation resource allocation stochastic geometry

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Numerical simulation of fluid flow and free surface fluctuations during wheel and belt casting process

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Journal of Iron and Steel research(International) 2024年第5期31卷 1117-1126页

作者： Kun Gao Yan Peng National engineering research center for Equipment and technology of Cold Strip Rolling Yanshan UniversityQinhuangdao066004HebeiChina

The unstable fluid flow and severe free surface fluctuations in the wheel and belt caster can affect the quality of the cast *** lower level height tends to entrap inclusions in the molten *** the other hand,the higher level height makes the production process more dangerous due to the overflow of high temperature fluid from the mold.A computational model of the molten metal pouring process was *** transient fluid flow and free surface fluctuations behavior were calculated using the three-dimensional large eddy simulation model and the volume of fluid *** results show that the flow velocity of the main jet gradually decreases under the influence of the low kinetic energy fluid in the *** is an obvious oscillation in the tail of the jet,while the flow field is asymmetric in *** jet is closer to the inside radius side due to the Coanda effect,and there is a recirculation zone on the inside radius and the outside radius respectively,according to the 10 s time-averaged *** with the industrial observation and simulation results,the shape of the free surface is a wave that varies with *** addition,the free surface height is lowest and the flow velocity is highest in the region near the jet.

关键词： Fluid flow Free surface Wheel and belt caster Large eddy simulation Volume of fluid method

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Dynamic Equivalent Modeling for Black-box Microgrids Under Multi-operating-point by Using LSTM

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CSEE Journal of Power and Energy Systems 2024年第2期10卷 639-648页

作者： Yunlu Li Josep M.Guerrero Junyou Yang Yajuan Guan Guiqing Ma Jiawei Feng School of Electrical engineering Shenyang University of TechnologyShenyang 110819China Department of Energy technology Center for Research on Microgrids(CROM)Aalborg University9220 Aalborg EastDenmark

Since the high penetration of distributed energy sources complicates the dynamics of electrical power systems,accurate dynamic models are indispensable for study on the transient behavior of the microgrid(MG).In some practices,the lack of full detailed information results in failure of dif-ferential equation based dynamic modeling,which leads to a demand for a black-box MG modeling *** is a critical challenge to maintain the effectiveness of the black-box model under a wide operating range and various fault *** this paper,inspired by the mathematical equivalence between the recurrent neural network(RNN)and differential-algebraic equations(DAEs),a dynamic equivalent modeling method,using long short-term memory(LSTM),is presented to tackle this *** first,the modeling equivalence and advantages of our basic idea are ***,modeling procedures,including data preparation and design guidelines,are ***,the proposed method is applied to a multi-microgrid testing system for performance *** results,under various scenarios,reveal that the proposed modeling method has an adequate capability for representing the dynamic behaviors of a black-box MG under grid fault and operating point changing *** Terms-Deep learning,dynamic behavior,dynamic equivalent model,microgrid,neural network.

关键词： Deep learning dynamic behavior dynamic equivalent model microgrid neural network

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Functional Optical Fiber Sensors Detecting Imperceptible Physical/Chemical Changes for Smart Batteries

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Nano-Micro Letters 2024年第8期16卷 268-308页

作者： Yiding Li Li Wang Youzhi Song Wenwei Wang Cheng Lin Xiangming He Institute of Nuclear and New Energy technology Tsinghua UniversityBeijing 100084People’s Republic of China National engineering research center of Electric Vehicles Beijing Institute of Technology(BIT)Beijing 100081People’s Republic of China Shenzhen Automotive research Institute of BIT(Shenzhen research Institute of National engineering research center of Electric Vehicles) Shenzhen 518118People’s Republic of China

The battery technology progress has been a contradictory process in which performance improvement and hidden risks *** the battery is still a“black box”,thus requiring a deep understanding of its internal *** battery should“sense its internal physical/chemical conditions”,which puts strict requirements on embedded sensing *** paper summarizes the application of advanced optical fiber sensors in lithium-ion batteries and energy storage technologies that may be mass deployed,focuses on the insights of advanced optical fiber sensors into the processes of one-dimensional nano-micro-level battery material structural phase transition,electrolyte degradation,electrode-electrolyte interface dynamics to three-dimensional macro-safety *** paper contributes to understanding how to use optical fiber sensors to achieve“real”and“embedded”*** the inherent advantages of the advanced optical fiber sensor,it helps clarify the battery internal state and reaction mechanism,aiding in the establishment of more detailed *** advancements can promote the development of smart batteries,with significant importance lying in essentially promoting the improvement of system ***,with the help of smart batteries in the future,the importance of consistency can be weakened or even *** application of advanced optical fiber sensors helps comprehensively improve the battery quality,reliability,and life.

关键词： Smart battery Advanced embedded optical fiber sensor Battery internal physical/chemical state Quality-reliability-life characteristic

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Review of the research on the development and utilization of clay-type lithium resources

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Particuology 2024年第4期87卷 46-53页

作者： Ruiqi Xie Zhihui Zhao Xiong Tong Xian Xie Qiang Song Peiqiang Fan Faculty of Land Resource engineering Kunming University of Science and TechnologyKunming650093China Yunnan engineering research center for Metal Tailings Resource Utilization Kunming650093China

Since the demands for lithium have been in explosive growth recently and several great clay lithium resources were founded in China,the development and utilization of clay-type lithium resources become a hot *** order to provide a guidance for the concentration and extracting lithium of clay-type lithium resources,this review systematically summarized the main types and characteristics of clay-type lithium resources and the research status of lithium extraction from clay lithium ***,the flotation research status of the main mineral of clay lithium ore was also ***,we discussed the difficulties in the development and utilization of clay-type lithium ore and put forward the subsequent research *** paper can provide a guidance for the con-centration and extracting lithium of clay-type lithium resources in the future.

关键词： Clay lithium Clay mineral flotation Lithium extraction Leaching

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