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Role of self-assembled molecules’anchoring groups for surface defect passivation and dipole modulation in inverted perovskite solar cells

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Chinese Physics B 2024年第10期33卷 108-115页

作者： Xiaoyu Wang Muhammad Faizan Kun Zhou Xinjiang Wang Yuhao Fu Lijun Zhang Key Laboratory of Superhard Materials College of PhysicsJilin UniversityChangchun 130012China State Key Laboratory of Integrated Optoelectronics Key Laboratory of Automobile Materials of MOECollege of Materials Science and EngineeringJilin UniversityChangchun 130012China

Inverted perovskite solar cells have gained prominence in industrial advancement due to their easy fabrication,low hysteresis effects,and high *** these advantages,their efficiency is currently limited by excessive defects and poor carrier transport at the perovskite-electrode interface,particularly at the buried interface between the perovskite and transparent conductive oxide(TCO).Recent efforts in the perovskite community have focused on designing novel self-assembled molecules(SAMs)to improve the quality of the buried ***,a notable gap remains in understanding the regulation of atomic-scale interfacial properties of SAMs between the perovskite and TCO *** understanding is crucial,particularly in terms of identifying chemically active anchoring *** this study,we used the star SAM([2-(9H-carbazol-9-yl)ethyl]phosphonic acid)as the base structure to investigate the defect passivation effects of eight common anchoring groups at the perovskite-TCO *** findings indicate that the phosphonic and boric acid groups exhibit notable *** groups fulfill three key criteria:they provide the greatest potential for defect passivation,exhibit stable adsorption with defects,and exert significant regulatory effects on interface *** anchoring groups exhibit enhanced passivation capabilities for defect energy levels due to their superior Lewis base properties,which effectively neutralize local charges near *** various defect types,iodine vacancies are the easiest to passivate,whereas iodine-substituted lead defects are the most challenging to *** study provides comprehensive theoretical insights and inspiration for the design of anchoring groups in SAMs,contributing to the ongoing development of more efficient inverted perovskite solar cells.

关键词： inverted perovskite solar cell defect passivation self-assembled molecule interface engineering first-principles calculation

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Recent development on the design,preparation,and application of stretchable conductors for flexible energy harvest and storage devices

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SusMat 2024年第4期4卷 175-210页

作者： Minhan Cheng Ke Tian Tian Qin Qianyang Li Hua Deng Qiang Fu College of Polymer Science and Engineering State Key Laboratory of Polymer Materials EngineeringSichuan UniversityChengduChina

The intensifying energy crisis has made it urgent to develop robust and reli-able next-generation energy *** for conventional large-scale energy sources,the imperceptible and randomly distributed energy embedded in daily life awaits comprehensive exploration and *** the latent energy has the potential to facilitate the further evolution of soft energy *** with rigid energy devices,flexible energy devices are more convenient and suitable for harvesting and storing energy from dynamic and complex structures such as human *** conductors that are capable of withstanding strain(≫1%)while sustaining stable conductive pathways are prerequisites for realizing flexible electronic energy ***,under-standing the characteristics of these conductors and evaluating the feasibility of their fabrication strategies are particularly *** this review,various prepa-ration methods for stretchable conductors are carefully classified and ***,recent progress in the application of energy harvesting and stor-age based on these conductors is discussed in ***,the challenges and promising opportunities in the development of stretchable conductors and inte-grated flexible energy devices are highlighted,seeking to inspire their future research directions.

关键词： energy harvesting energy storage fabrication strategies stretchable conductors

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Heat transfer prediction modeling method combining threedimensional high-precision and one-dimensional real-time dynamic simulations

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science China(Technological sciences) 2025年第3期68卷 82-96页

作者： Xuanang ZHANG Ping YUAN Gequn SHU Xuan WANG Hua TIAN State Key Laboratory of Engines Tianjin UniversityTianjin300072China Department of Thermal Science and Energy Engineering University of Science and Technology of ChinaHefei230027China

Heat exchangers are the core components of energy transfer and conversion and are widely used in the energy,chemical,and other *** an actual operational process,load changes lead to variations in the operating conditions of the heat *** the heat-transfer performance is crucial for the safe and efficient operation of the *** realize high-precision heat transfer prediction through simulations,instead of using traditional solid equipment,this study proposed a heat transfer prediction modeling method that combines three-dimensional high-precision and one-dimensional real-time dynamic *** method combines the high-precision advantage of three-dimensional simulation with the real-time advantage of one-dimensional *** verify the feasibility of the modeling method,a heat transfer prediction model was constructed based on the heat transfer channel structure of a CO_(2)mixture heat transfer characteristic experimental test *** steady-state and dynamic heat transfer characteristics of CO_(2)/R32 mixtures were simulated and experimentally ***,the real-time operational capability of the heat transfer prediction model was verified using a real-time *** results showed that the heat transfer prediction model modeling method proposed in this study could improve the accuracy by 1.75-4.64 times compared with the conventional one-dimensional dynamic *** established heat transfer prediction model exhibited good accuracy for both dynamic and steady-state *** average relative errors with the experimental results were in the range of 0.91%-2.83%under six sets of experimental ***,the proposed heat transfer prediction model can predict the heat transfer process in real-time under all experimental heat source conditions.

关键词： heat transfer prediction model CO_(2)mixture heat exchanger real-time simulation

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Enhancement of electrical conductivity and electromagnetic interference shielding performance via supercritical CO_(2) induced phase coarsening for double percolated polymer blends

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Nano Research 2023年第1期16卷 613-623页

作者： Fangfang Zou Xia Liao Pengwei Song Shaozhe Shi Jia Chen Xiaohan Wang Guangxian Li College of Polymer Science and Engineering State Key Laboratory of Polymer Materials EngineeringSichuan UniversityChengdu 610065China

The electrical conductivity of conductive polymer composites(CPCs)with a classical double percolated structure is highly connected to the phase ***,lots of conductive fillers,which are added to guarantee CPCs’electrical conductivity,caused increased viscosity and limited phase coarsening in traditional atmosphere ***,a novel processing method of supercritical carbon dioxide(scCO_(2)),assisted phase coarsening for polylactide acid(PLA)/polystyrene(PS)/multi-wall carbon nanotube(MWCNT)composites was *** was first proved that obviously coarsened conductive network of double percolation after scCO_(2) annealing was achieved,which benefited from CO_(2) plasticized polymer chains and thus decreased ***,the electrical properties and electromagnetic interference(EMI)shielding performance of the composites were significantly *** percolation threshold of PLA/PS/MWCNT composites decreased from 0.31 wt.%to 0.16 wt.%,and EMI shielding effectiveness increased from 32.8 to 37.4 dB at 5 wt.%MWCNT *** work provides a simple,green,and effective way of post-processing to tailor the phase structure via varying conditions of annealing medium such as temperature,CO_(2) pressure,and time,and gains CPCs with improved electrical conductivity and EMI shielding performance.

关键词： double-percolated structure supercritical carbon dioxide annealing

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Meta Transductive Linear Probing for Few-Shot Node Classification 5

Meta Transductive Linear Probing for Few-Shot Node Classific...

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5th IEEE International Conference on Pattern Recognition and Machine Learning, PRML 2024

作者： Lan, Mingjing Huang, Ningbo Zhou, Gang Xia, Yi State Key Laboratory of Mathematical Engineering and Advanced Computing Zhengzhou China

ISBN: (纸本)9798350355925

Graph few-shot learning aims to predict well by training with very few labeled data. Meta learning has been the most popular solution for few-shot learning problem. However, transductive linear probing shows that fine-tuning a simple linear classification head after a pretrained graph neural networks can outperforms most of the sophisticated-designed graph meta learning algorithms. Therefore, in the paper, we propose a meta transductive linear probing methods named Meta-TLP to incorporate the advantages of graph self-supervised and graph meta learning model. Specifically, the graph neural network is firstly pretrained with graph contrastive learning methods. Then we design an unsupervised meta training task construction methods to require meta tasks without relying on labeled data. Finally, we meta training the linear classification head on the meta training tasks to learn to fast adopt to novel classes. Experiment results show that our model can perform better than TLP on three real world datasets. © 2024 IEEE.

关键词： Self-supervised learning

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Promoted Comprehensive Properties of Polyisoprene Rubber with Extremely High Fatigue Resistance Enabled by Oligopeptide Aggregates

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Chinese Journal of Polymer science 2023年第8期41卷 1250-1260,I0008页

作者： Yu He Ran Xu Rong Zhang Chang-Cheng Wang Shi-Qi Li Jian Cao Mao-Zhu Tang Yun-Xiang Xu College of Polymer Science and Engineering State Key Laboratory of Polymer Materials EngineeringSichuan UniversityChengdu 610065China

For decades,the preparation of polyisoprene rubber that can match the comprehensive properties of natural rubber(NR)has been *** sacrificial bonds have been used to promote the strength and toughness of rubbers,little is known about their effects on fatigue resistance,which is important in dynamic ***,terminal block and randomly functionalized polyisoprene rubbers tethered with di-alanine,tri-alanine and tetra-alanine were *** results showed that the flow activation energy,aggregates ordering and energy dissipation of the hydrogen-bonded aggregates increase with the elongation of oligopeptide length(XA,X=2,3,4),therefore resulting in enhanced mechanical strength and toughness of corresponding ***,the tear strengths are barely affected by oligopeptide lengths in block samples,but promoted from dipeptide to tetrapeptide in random samples,probably due to the well dispersed oligopeptide *** importantly,it is found that the tight binding aggregates of oligopeptides are critical for the excellent fatigue resistance,which is absent in polyisoprene and natural *** loose aggregates dissociate and recombine repeatedly under cyclic loading and the tight aggregates keep the network integrated and ***,the largest hysteresis of PIP-4A-V with the longest oligopeptide length give the lowest heat generation,which is contrary to the traditional sacrificial ***,the oligopeptide aggregates have repeatable energy dissipation properties and cycle life comparable to or even surpassing those of the linked proteins in NR,resulting in similar tensile strength,fracture toughness,and better fatigue resistance relative to *** deep insight on the role of oligopeptide aggregates is very useful for the engineering rubbers served in dynamic environments.

关键词： Polyisoprene Hydrogen bonding Oligopeptides Fatigueresistance

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Low sintering shrinkage porous ceramics: Principles, progress, and perspectives

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Journal of Advanced Ceramics 2025年第2期14卷 1-36页

作者： Jie Xu Yueqi Shao Xiaoying Feng Xiaoyan Zhang Hao Li Jinlong Yang Feng Gao State Key Laboratory of Solidification Processing MIIT Key Laboratory of Radiation Detection Materials and DevicesSchool of Materials Science and EngineeringNorthwestern Polytechnical UniversityXi’an 710072China Institute for Advanced Materials and Technology University of Science and Technology BeijingBeijing 100083China State Key Lab of New Ceramics and Fine Processing School of Materials Science and EngineeringTsinghua UniversityBeijing 100084China

Porous ceramics are lightweight materials with diverse pore structures and are widely applied in areas such as thermal insulation, sound absorption, filtration, catalysis, and energy storage. However, excessive shrinkage during the sintering process of porous ceramics leads to cracking and deterioration, posing significant challenges for achieving complex shapes. Despite its importance, the field of low sintering shrinkage porous ceramics has not received sufficient attention. This review systematically discusses the principles and progress in the development of low sintering shrinkage porous ceramics. First, we introduce the characteristics of various preparation methods, including partial sintering, particle-stabilized foaming, gel-casting, foam-gelcasting, and additive manufacturing (AM). We then explain three primary principles of low sintering shrinkage from the perspectives of the volume effect and mass transfer processes. This review focuses on the properties and applications of typical low sintering shrinkage ceramics such as mullite and alumina, particularly their mechanical properties and thermal conductivity as thermal insulation and ceramic cores. Finally, we summarize the current state and present future perspectives on low sintering shrinkage porous ceramics.

关键词： porous ceramics low sintering shrinkage volume expansion mass transfer process pore structure properties

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Roles of Y_(2)Zr_(2)O_(7) Nano‑Oxides in Helium Management in ODS Ferritic Alloys:A First‑Principles Study

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Acta Metallurgica Sinica(English Letters) 2025年第3期38卷 497-506页

作者： Huajian Wu Jieli Ma Yong Jiang Yiren Wang Fuhua Cao Key Laboratory for Nonferrous Materials(MOE) School of Materials Science and EngineeringCentral South UniversityChangsha 410083China State Key Laboratory of Powder Metallurgy Central South UniversityChangsha 410083China

Y-Zr-O nano-oxide dispersion-strengthened(ODS)ferritic alloys have attracted increasing research eforts in recent years,for the enhanced nucleation and refnement of ***,we report a frst-principles exploration on the possible roles of Y_(2)Zr_(2)O_(7) in helium management in Y+Zr and Y+Ti+Zr co-alloyed ODS ferritic *** phase calculations suggested that similarly as Y_(2)Ti_(2)O_(7),Y_(2)Zr_(2)O_(7) has a comparably strong capability for trapping helium at its interstitial *** equilibrium Fe/Y_(2)Zr_(2)O_(7) interface structure was further predicted as the top-coordinated O-rich at the temperature range of *** and helium both segregate to the Y_(2)Zr_(2)O_(7) interface,in preference to the Y_(2)Ti_(2)O_(7) interface,the bulk interior of Y_(2)Zr_(2)O_(7) and the grain *** this regard,Y_(2)Zr_(2)O_(7) can be more efective than Y_(2)Ti_(2)O_(7) in preventing vacancies and helium from reaching *** on these results,the profound implications for the helium tolerance of Zralloyed ODS ferritic alloys were discussed.

关键词： Nano-oxide dispersion-strengthened ferritic alloys Y_(2)Zr_(2)O_(7) Y_(2)Ti_(2)O_(7) Interface Helium First-principles

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Ultra-robust Metallosupramolecular Hydrogels with Unprecedented Self-recoverability using Asymmetrically Distributed Carboxyl-Fe3+Coordination Interactions

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Chinese Journal of Polymer science 2023年第2期41卷 250-257页

作者： Zhao-Yang Yuan Zhen-Xing Cao Rui Wu Hui Li Qiong-Jun Xu Hai-Tao Wu Jing Zheng Jin-Rong Wu State Key Laboratory of Polymer Materials Engineering College of Polymer Science and EngineeringSichuan UniversityChengdu610065China

Recently,numerous mechanically robust synthetic hydrogels have been ***,unlike natural loading-bearing materials such as cartilages and muscles,most hydrogels have inherently contradictory requirements,obstructing the design of hydrogels with characteristics of robustness and rapid ***,we present a facile strategy for constructing mechanically robust and rapidly self-recoverable *** linear poly(acrylamide-co-itaconic acid)chains crosslink via coordination bonds and minimal chemical crosslinkers to form the hydrogel *** design endows the coordination interactions to be asymmetrically *** deformation,the coordination interactions exhibit a reversible dissociation-and-reorganization property,demonstrating a new mechanism for energy dissipation and stress ***,the hydrogels possess tensile strength up to 12.5 MPa and toughness up to 28.2 MJ/***,the inherent dynamic nature of the coordination bonds imparts these hydrogels with stretch rate-and temperature-dependent mechanical behavior as well as excellent self-recovery *** method employed in this study is universal and is applicable to other polymers with load-bearing yet rapid recovery *** study will facilitate diverse applications of most metallosupramolecular hydrogels.

关键词： Metallosupramolecular hydrogels Coordination interactions Self-recoverability

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Spatial light modulation for femtosecond laser manufacturing:Current developments and challenges

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science China(Technological sciences) 2024年第1期67卷 60-72页

作者： ZANG Xue LIU ZiTing XU YiShi WANG Yi WANG Qing LI ZhenZe WANG Lei State Key Laboratory of Integrated Optoelectronics College of Electronic Science and EngineeringJilin UniversityChangchun 130012China State Key Laboratory of Precision Measurement and Instruments Department of Precision InstrumentTsinghua UniversityBeijing 100084China

Since the invention of lasers,spatial-light-modulated laser processing has become a powerful tool for various *** enables multidimensional and dynamic modulation of the laser beam,which significantly improves the processing efficiency,accuracy,and flexibility,and presents wider prospects over traditional mechanical technologies for machining three-dimensional,hard,brittle,or transparent *** this review,we introduce:(1)The role of spatial light modulation technology in the development of femtosecond laser manufacturing;(2)the structured light generated by spatial light modulation and its generation methods;and(3)representative applications of spatial-light-modulated femtosecond laser manufacturing,including aberration correction,parallel processing,focal field engineering,and polarization ***,we summarize the present challenges in the field and possible future research.

关键词： femtosecond laser manufacturing spatial light modulation structured light aberration correction parallel processing focal field engineering polarization control

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