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Application of machine learning in perovskite materials and devices:A review

Journal of energy Chemistry 2024年第7期94卷 254-272页

作者： Ming Chen Zhenhua Yin Zhicheng Shan Xiaokai Zheng Lei Liu Zhonghua Dai jun Zhang Shengzhong(Frank)Liu Zhuo xu School of Electric Power Civil Engineering and ArchitectureCollege of Physics and Electronics EngineeringState Key Laboratory of Quantum Optics and Quantum Optics DevicesShanxiUniversityTaiyuan030006ShanxiChina key lab.ratory of Applied Surface and Colloid Chemistry National Ministry of EducationShanxi Engineering Lab for Advanced Energy TechnologySchool of Materials Science and EngineeringShaanxi Normal UniversityXi'an 710119ShaanxiChina state key lab.ratory of Catalysis Dalian National Laboratory for Clean EnergyDalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023LiaoningChina

Metal-halide hybrid perovskite materials are excellent candidates for solar cells and photoelectric *** recent years,machine learning(ML)techniques have developed rapidly in many fields and provided ideas for material discovery and *** can be applied to discover new materials quickly and effectively,with significant savings in resources and time compared with traditional experiments and density functional theory(DFT)*** this review,we present the application of ML in per-ovskites and briefly review the recent works in the field of ML-assisted perovskite ***,the advantages of perovskites in solar cells and the merits of ML applied to perovskites are ***,the workflow of ML in perovskite design and some basic ML algorithms are ***,the applications of ML in predicting various properties of perovskite materials and devices are ***,we propose some prospects for the future development of this *** rapid devel-opment of ML technology will largely promote the process of materials science,and ML will become an increasingly popular method for predicting the target properties of materials and devices.

关键词： Machine learning Perovskite Materials design Bandgap engineering Stability Crystal structure

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Efficient Contact between H_(2)O and N-Coordinate Ru Nanoparticles in Three-Dimensionally Ordered Macro/Mesoporous Carbon Boosting Alkaline HER

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Chinese Journal of Chemistry 2024年第2期42卷 164-170页

作者： Jiaqing Luo Chunyu Liu Ruolin Zhang Yuanqing Sun Hua xu Qingying Hu Manxue Zhang jun Li Zhenxing Li Weiyu Song Yuechang Wei Jian Liu state key lab.ratory of Heavy Oil and Bejing key lab of Oil&Gas Optical Detection Technology China University of PetroleumBeijing 102249China lab.ratory of Heavy Oil at Karamay Ching University of Petroleum-Beijing at KaramayKaramayXinjiang 83400China Basic Research Center for energy Interdisciplinary College of ScienceChina University of PetroleumBeijing 102249China Petrochemical Research Institute PetroChina Company LimitedBeijing 102206China BeijingNationallab.ratoryfor Condensed Matter Physics Institute of PhysicsChinese Academy of SciencesBeijing 100190China

In this study,a novel approach is proposed to achieve the uniformly dispersed Ru nanoparticles with N coordination loaded on three-dimensionally ordered macro/mesoporous carbon(3DOMMC)through simultaneous pyrolysis of Ru^(3+)and cyanamide on *** an alkaline medium,the synthesized catalysts exhibit exceptional hydrogen evolution reaction(HER)***,Ru-N/3DOMMC demonstrates a significantly low overpotential of 13.8 mV to achieve acrent density of 10 *** exhibits a mass activity 17.5 times higher than that of commercial Pt/*** outstanding performance could be attributed to the ultrahigh Ru dispersion and more efficient contact between active sites and reactant,which derived from the large specific surface area and interconnective three-dimensionally macro/mesopores of 3DOMMC.

关键词： 3DOMMC Hydrogen evolution reaction Electrocatalysis Solid-liquid contact energy conversion

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Dynamic Sulfur-Rich Polymers from Elemental Sulfur and Epoxides

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Chinese Journal of Polymer Science 2024年第10期42卷 1479-1487,I0010页

作者： Ke-Xiang Chen Chen-Hui Cui Zhen Li Ting xu Hao-Qing Teng Zhi-Yuan He Yin-Zhou Guo Xiao-Qing Ming Zhi-Shen Ge Yan-Feng Zhang Tie-jun Wang School of Chemistry Engineering Research Center of Energy Storage Materials and DevicesMinistry of EducationXi’an Jiaotong UniversityXi’an710049China state key lab for Strength and Vibration of Mechanical Structures Department of Engineering MechanicsXi’an Jiaotong UniversityXi’an710049China

Sulfur-containing dynamic polymers had attracted significant attention due to their unique chemical structures with high *** sulfur, an inexpensive industrial waste product, to synthesize dynamic polysulfide polymers through reverse vulcanization has been a notable approach. However, this method required high temperatures and resulted in the release of unpleasant oders. In this study, we presented a robust method for the preparation of sulfur-rich polymers with dynamic polysulfide bonds from elemental sulfur and inexpensive epoxide monomers via a one-pot strategy at the mild room temperature. Different types of polysulfide molecules and polymers were synthesized by reacting various epoxide compounds with sulfur, along with the investigation of their structures and dynamic behaviors. It was noteworthy that the obatined polymers prepared from m-(2,3-epoxypropoxy)-N,N-bis(2,3-epoxypropyl)aniline and elemental sulfur exhibit multiple dynamic behaviors, including polysulfide metathesis and polysulfide-thiol exchange, enabling their rapid stress relaxation, self-healing, reprocessing and degradable properties of the cross-linked polymer. More importantly, the hydroxyl groups at the side chains from epoxide ring opening exhibited potential transesterification. This work provided a facile strategy for designing dynamic sulfur-rich polymers via a mild synthesis route.

关键词： Elemental sulfur Sulfur-containing polymer Dynamic covalent bond Dynamic polymer

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Weights Determination Based on Combined Objective and Subjective Method in Traffic safety Evaluation

Weights Determination Based on Combined Objective and Subjec...

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The Sixth International Forum of automotive Traffic safety

作者： Lan Qiao Li Tibing xu jun (state key lab.ratory of automotive safety & energy Tsinghua University Beijing China 100084)

＜正＞This paper suggests an evaluation index system which combines qualitative indexes and quantitative indexes for road traffic safety *** the drawbacks of some generally used weights determination approaches,this paper proposes a new approach for assessing a certain road traffic safety situation with quantitative and qualitative *** approach involves the analytic hierarchy process and least squares *** addition,the index weights of the index system for road traffic safety evaluation are determined by this *** result shows the validity and accuracy of the suggested model.

关键词： weights determination approach evaluation index system road traffic safety evaluation

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Tough Hydrogen Bonding Crosslinked Poly (3-fluorothiophene) Network via Electrosynthesis for High-performance Electrochromic Supercapacitors

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Chinese Journal of Polymer Science 2024年第11期 1749-1757页

作者： Chun-Hui Du Yu-Hua xu Hui Li Zhi-Xin Wu Han-jun Yang Xi-Mei Liu Bao-Yang Lu Guang-Ming Nie Ge Zhang Jiangxi key lab of Flexible Electronics Flexible Electronics Innovation InstituteJiangxi Science & Technology Normal University key lab.ratory of Optic-Electric Sensing and Analytical Chemistry for Life Science MOEState Key Laboratory Base of Eco-chemical EngineeringCollege of Chemistry and Molecular EngineeringQingdao University of Science and Technology

As a type of bi-functional device,electrochromic supercapacitors （EC-SCs） have attracted extensive attention in diverse applications such as flexible ***,despite recent encouraging progress,rational design and development of high-performance EC-SC materials with desirable stability remain challenging for practical ***,we propose a fluorination strategy to develop high-performance EC-SC materials with tough hydrogen bonding cross-linked intermolecular polymer network by one-step electrosynthesis of *** electrosynthesized free-standing poly（3-fluorothiophene）(PFT) films simultaneously achieve high electrochromic performance （optical contrast 42%at 560 nm with reversible color changes between purple and blue）,and good capacitance property (290 F·g-1,1 A·g-1),as well as outstanding cyclic stability （energy storage state in real-time and maintain outstanding stability under mechanical distortion like *** a tough fluorination hydrogen bonding cross-linking strategy may provide a new design concept for high-performance EC-SC materials and reliable FESDs toward practical applications.

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Numerical Analysis of Explosion Characteristics of Vent Gas From 18650 LiFePO_(4) Batteries With Different states of Charge

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电化学（中英文） 2024年第8期30卷 28-35页

作者： Shi-Lin Wang xu Gong Li-Na Liu Yi-Tong Li Chen-Yu Zhang Le-jun xu xu-Ning Feng Huai-Bin Wang China People's Police University Langfang 065000China state key lab.ratory of automotive safety and energy Tsinghua University Beijing 100084China

The combustion and explosion characteristics of lithium-ion battery vent gas is a key factor in determining the fire hazard of lithium-ion *** the combustion and explosion hazards of lithium-ion batteries vent gas can provide guidance for rescue and protection in explosion accidents in energy storage stations and new energy vehicles,thereby promoting the application and development of lithium-ion *** on this understanding and combined with previous research on gas production from lithium-ion batteries,this article conducted a study on the combustion and explosion risks of vent gas from thermal runaway of 18650 LFP batteries with different states of charge(SOCs).The explosion limit of mixed gases affected by carbon dioxide inert gas is calculated through the“elimination”method,and the Chemkin-Pro software is used to numerically simulate the laminar flame speed and adiabatic flame temperature of the battery vent *** the concentration of free radicals and sensitivity coefficients of major elementary reactions in the system are analyzed to comprehensively evaluate the combustion explosion hazard of battery vent *** study found that the 100%SOC battery has the lowest explosion limit of the vent *** inhibitory elementary reaction sensitivity coefficient in the reaction system is lower and the concentration of free radicals is ***,it has the maximum laminar flame speed and adiabatic flame *** combustion and explosion hazard of battery vent gas increases with the increase of SOC,and the risk of explosion is the greatest and most harmful when SOC reaches 100%.However,the related hazards decrease to varying degrees with overcharging of the *** article provides a feasible method for analyzing the combustion mechanism of vent gas from lithium-ion batteries,revealing the impact of SOC on the hazardousness of battery vent *** provides references for the safety of storage and transportation of lithium

关键词： Combustion and explosion characteristics Explosion limit Laminar flame speed Adiabatic flame temperature Sensitivity analysis

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A Novel Foreign Object Detection Method in Transmission Lines Based on Improved YOLOv8n

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Computers, Materials & Continua 2024年第4期79卷 1263-1279页

作者： Yakui Liu Xing Jiang Ruikang xu Yihao Cui Chenhui Yu Jingqi Yang Jishuai Zhou School of Mechanical and automotive Engineering Qingdao University of TechnologyQingdao266520China state key lab.ratory of Electrical Insulation and Power Equipment Xi’an Jiaotong UniversityXi’an710049China key lab of Industrial Fluid energy Conservation and Pollution Control Qingdao University of TechnologyMinistry of EducationQingdao266520China

The rapid pace of urban development has resulted in the widespread presence of construction equipment andincreasingly complex conditions in transmission corridors. These conditions pose a serious threat to the safeoperation of the power *** vision technology, particularly object recognition technology, has beenwidelyemployed to identify foreign objects in transmission line images. Despite its wide application, the technique faceslimitations due to the complex environmental background and other auxiliary factors. To address these challenges,this study introduces an improved YOLOv8n. The traditional stepwise convolution and pooling layers are replacedwith a spatial-depth convolution (SPD-Conv) module, aiming to improve the algorithm’s efficacy in recognizinglow-resolution and small-size objects. The algorithm’s feature extraction network is improved by using a LargeSelective Kernel (LSK) attention mechanism, which enhances the ability to extract relevant features. Additionally,the SIoU Loss function is used instead of the Complete Intersection over Union (CIoU) Loss to facilitate fasterconvergence of the algorithm. Through experimental verification, the improved YOLOv8n model achieves adetection accuracy of 88.8% on the test set. The recognition accuracy of cranes is improved by 2.9%, which isa significant enhancement compared to the unimproved algorithm. This improvement effectively enhances theaccuracy of recognizing foreign objects on transmission lines and proves the effectiveness of the new algorithm.

关键词： YOLOv8n data enhancement attention mechanism SPD-Conv Smoothed Intersection over Union(SIoU)Loss

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Impact Experimental Investigation of PVB Laminated Glass Based on High-Speed Photography: An Initial Attempt

Impact Experimental Investigation of PVB Laminated Glass Bas...

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第八届国际汽车交通安全学术会议

作者： Mengyi ZHU1 Bohan LIU1 Yueting SUN1 jun xu1 Yibing LI1 (1state key lab.ratory of automotive safety & energy Department of automotive Engineering Tsinghua University Beijing 10084)

In this paper,a high-speed photography method combined with drop-weight test is used to study the dynamic cracking behavior of PVB （polyvinyl butyral） laminated glass subject to low-speed *** patterns,paths and velocities,derived from a series of dynamic photos,are thoroughly analyzed to explore the characteristics cracking *** addition,given the different the experimental conditions,*** crack velocities,cracking speed （including maximum speed and speed-time history curve） are examined and compared.

关键词： PVB laminated windshield high-speed photography crack.

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磁场作用下水基磁流体对TC4与Si3N4摩擦学性能影响的实验研究

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机械工程学报 2024年第7期60卷 174-183页

作者：王优强徐莹莫君何彦赵涛倪陈兵青岛理工大学机械与汽车工程学院青岛266520 青岛理工大学工业流体节能与污染控制教育部重点实验室青岛266520

钛合金(TC4)是一种航空航天中广泛应用的材料,其具有强度高、耐高温、耐腐蚀等优良特性,但其摩擦学性能限制了其进一步的应用。近年来水基磁流体作为一种智能环保型润滑剂在解决极端工况条件下的润滑问题发挥着巨大优势。利用摩擦磨损... 详细信息

钛合金(TC4)是一种航空航天中广泛应用的材料,其具有强度高、耐高温、耐腐蚀等优良特性,但其摩擦学性能限制了其进一步的应用。近年来水基磁流体作为一种智能环保型润滑剂在解决极端工况条件下的润滑问题发挥着巨大优势。利用摩擦磨损实验机研究了磁场作用下水基磁流体对钛合金摩擦学性能的影响。首先实验研究了水基磁流体的磁学性能。采用超声清洗机对原磁流体进行稀释,获得质量分数分别为0.3%、0.6%、0.9%、1.2%、10%、20%、36%稳定的水基磁流体。利用振动样品磁强计(VSM)、场发射透射电镜(TEM)和静态接触角测量仪分别测试了磁性颗粒的大小和形貌,研究了不同质量分数的水基磁流体的润湿性,探讨了水基磁流体的磁学性能。实验结果表明:Fe3O4颗粒呈球形,平均粒径为14 nm,具有良好的顺磁性。水基磁流体的润湿性随质量分数的增大而增大。其次,研究了水基磁流体的摩擦学性能。以TC4钛合金与Si3N4陶瓷球为试件,利用UMT-3往复摩擦磨损试验机测定了不同磁场强度下不同质量分数水基磁流体润滑时钛合金表面的摩擦因数,并用高精度粗糙度仪对磨损量进行测量。结果表明,通过与基液实验结果进行对比发现,不同质量分数的水基磁流体都表现出一定的减摩效果,其中质量分数为1.2%的磁流体减摩效果最好,摩擦因数降低了16.99%。但在施加外磁场时,不同质量分数的水基磁流体的磨损量都会比基液水润滑时有所增加。但是,随着颗粒质量分数和磁场强度的增大,磨损量逐渐减少。最后,通过实验数据对不同磁场作用下不同质量分数水基磁流体的摩擦学性能的作用机理进行分析,为水基磁流体将来在润滑领域的应用提供了实验依据。

关键词：纳米添加剂水基磁流体磁场强度摩擦学减摩润滑性能

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面向能量管理的燃料电池混合动力模型辨识

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系统仿真学报 2009年第17期21卷 5361-5365页

作者：徐梁飞包磊华剑锋李建秋欧阳明高清华大学汽车安全与节能国家重点实验室北京100084

燃料电池混合动力能量管理算法离线及在线优化需要建立一套有效的模型辨识方法。根据混合动力系统的部件特性,使用TTCAN数据,基于最小二乘原理建立系统辨识算法,辨识出系统模型。离线仿真结果表明,所辨识的模型能反映当前系统性能,可作... 详细信息

燃料电池混合动力能量管理算法离线及在线优化需要建立一套有效的模型辨识方法。根据混合动力系统的部件特性,使用TTCAN数据,基于最小二乘原理建立系统辨识算法,辨识出系统模型。离线仿真结果表明,所辨识的模型能反映当前系统性能,可作为能量管理算法优化的依据。为提高能量管理算法的自适应调整能力,需要将离线辨识改为在线辨识,并整合到整车控制器中。在Matlab/Simulink环境中搭建在线辨识算法,并通过自动代码生成与整车控制器底层代码无缝结合。增加了在线辨识算法的能量管理算法运行时间从原先的0.58ms提高到3.2ms,但仍然小于TTCAN网络的最小闲置时间4ms。在线辨识算法虽然增加了整车控制器运算负荷,但并未影响TTCAN通讯时序。中国城市公交典型工况测试表明,采用在线辨识算法后的系统氢气消耗从8.2kg/100km降低到7.9kg/100km,约降低3.6%。为控制燃料电池输出功率波动,进一步工作中需要将燃料电池模型加入在线辨识算法,并采用递推算法降低整车控制器计算负荷。

关键词：燃料电池混合动力系统模型辨识最小二乘法在线辨识

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