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Electrically variable interfaces in polymer nanocomposite dielectrics

Physical Review B 2024年第18期109卷 184205-184205页

作者： Wen-Zhi Luo Zhong-Hui Shen Yang Shen Long-Qing Chen Ce-Wen Nan State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Center of Smart Materials and Devices Wuhan University of Technology Wuhan 430070 China School of Materials and Microelectronics Wuhan University of Technology Wuhan 430070 China School of Materials Science and Engineering State Key Lab of New Ceramics and Fine Processing Tsinghua University Beijing 100084 China Department of Materials Science and Engineering The Pennsylvania State University University Park Pennsylvania 16802 United States

Polymer nanocomposites generally exhibit unexpected dielectric/electrical performance far beyond the sum of every component, which is mainly due to the interface effect induced by the differences in structures and properties between the nanofillers and the polymer matrix. However, understanding the capricious interface effect in different polymer nanocomposites remains a major challenge. Here, we perform density functional theory calculations to investigate the atomic/molecular configurations and local charge behaviors of heterogeneous interfaces between the fillers of perovskites, oxides, two-dimensional materials, and polar/nonpolar polymers. Our findings demonstrate that atomic reconfiguration takes place during the formation of the inorganic/organic interface in order to minimize the overall energy of the system. Significant charge accumulation occurs at heterogeneous interfaces due to electron redistribution, especially for the examples of HfO2 and negatively charged Ca2Nb3O10. When applying an electric field, local polarization, especially around the interface, will be distorted and enhanced as a result of interfacial interaction. Even for the nonpolar polymer with linear dielectric oxides such as TiO2, induced dipole moments also appear near the interface, leading to the improvement of overall polarizability. The outcomes of our study verify that the variable electrical behaviors at the interfaces are highly dependent on the feature of every component constituting the inorganic/organic interface, which offers valuable insights for optimizing the experimental design of heterogeneous interfaces in polymer nanocomposites.

关键词： Electric polarization Solid-solid interfaces Density functional calculations

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Light tuning CO/H_(2)composition on Ag:Unraveling CO_(2)mass transfer and electron-phonon coupling in plasmon-enhanced electrocatalysis

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Nano Research 2025年第1期18卷 173-185页

作者： Rui Lin Dong Fan Luca MBerger Thomas Possmayer Yu Zhou Jiexin Zhu Xingbao Chen Wen Luo Lars Allmendinger Andreas Tittl Leonardo de Souza Menezes Guillaume Maurin Shihe Yang and Stefan AMaier Nanoinstitute Munich Faculty of PhysicsLudwig-Maximilians-Universität München80539 MunichGermany Institut Charles Gerhardt Montpellier UMR 5253 CNRS ENSCM UniversitéMontpellierPlace E.Bataillon34090 MontpellierFrance Guangdong Provincial Key Lab of Nano-Micro Material Research School of Advanced MaterialsPeking University Shenzhen Graduate SchoolShenzhen 518055China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China Faculty of Chemistry and Pharmacy Ludwig-Maximilians-Universität München81377 MunichGermany Departamento de Física Universidade Federal de Pernambuco50670-901 Recife-PEBrazil School of Physics and Astronomy Monash University Clayton CampusMelbourneVictoria 3800Australia Department of Physics Imperial College LondonSW72AZ LondonUK

Plasmon-enhanced electrocatalysis(PEEC)is an emerging approach to mitigate CO_(2)*** mechanisms behind CO_(2)adsorption and reduction at the catalyst-electrolyte interface in PEEC still need to be further ***,we employ a well-defined Ag nanostructure to elucidate these pivotal *** shining light with wavelengths of 625,525,405 nm on Ag,an adjustable CO/H_(2)ratio from 35 to 1 can be *** reaction pathway changing under plasmonic excitation does not originate from the lowered CO_(2)mass transfer in the vicinity of Ag,as the electrochemical quartz crystal microbalance results unravel that a slightly elevated temperature in bulk electrolyte caused by light irradiation cannot weaken the CO_(2)adsorption at the Ag catalyst-electrolyte *** calculations reveal that optical excitation towards shorter wavelengths leads to a progressive lowered energy barrier for H_(2)formation together with an enhanced energy barrier for^(*)COOH *** thermodynamically suppressed,CO_(2)reduction can still be improved kinetically by optimizing the excitation wavelength and intensity,being accompanied with the enhanced *** absorption spectroscopy results further correlate the higher photocurrent with a prolonged electron-phonon coupling time,verifying that the improvement of CO_(2)reduction kinetics in PEEC can be realized by hot electron harnessing.

关键词： plasmonic catalysis photoelectrochemical CO_(2)reduction CO/H_(2)ratio hot electron generation electronphonon coupling thermal effect

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Structure and Tribological Evolution of Ta-N Layer by Controlling the Time of Microwave Plasma Nitriding

SSRN

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SSRN 2024年

作者： Li, Jiacheng Xu, Zhigang Peng, Jian Shen, Qiang Wang, Chuanbin State Key Lab of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan430070 China Chaozhou Branch of Chemistry and Chemical Engineering Guangdong Laboratory Guangdong Chaozhou521000 China

The Ta-N layer on the Ta matrix surface was synthesized using microwave plasma nitriding (MPN) to enhance its wear resistance. The effects of holding time on the phase composition, morphology, mechanical properties, friction, and wear of the nitriding layers were systematically examined. The results revealed that nanocrystalline Ta-N layers with a dense surface and low roughness were successfully fabricated. The thickness of the Ta-N layer increased from 0.87 μm to 4.23 μm with prolonged holding time. The hardness of the Ta-N layer increased first and then decreased with the extension of holding time, and reached the maximum at 4h. Friction and wear test results indicated that the Ta-N layer exhibited superior wear resistance at the holding time of 4 h, which was mainly attributed to the synergy of dense structure and the generation of the nanocrystal. In conclusion, the Ta-N layer with the desired hardness and wear resistance was obtained due to MPN treatment, which offered excellent surface protection for the Ta matrix in terms of wear resistance. © 2024, The Authors. All rights reserved.

关键词： Nanocrystals

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Flexible and highly-sensitive pressure sensor based on controllab.y oxidized MXene

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InfoMat 2022年第9期4卷 60-71页

作者： Yanan Ma Yongfa Cheng Jian Wang Si Fu Mengjun Zhou Yue Yang Baowen Li Xin Zhang Ce-Wen Nan State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Center of Smart Materials and Devices&International School of Materials Science and EngineeringWuhan University of TechnologyWuhanChina School of Mathematics Physics and Optoelectronic EngineeringHubei University of Automotive TechnologyShiyanChina Center for Nanoscale Characterization&Devices(CNCD) Wuhan National Laboratory for Optoelectronics(WNLO)Huazhong University of Science and Technology(HUST)WuhanChina Information Materials and Intelligent Sensing Laboratory of Anhui Province Key Laboratory of Structure and Functional Regulation of Hybrid Materials of Ministry of EducationInstitutes of Physical Science and Information TechnologyAnhui UniversityHefeiChina State Key Lab of New Ceramics and Fine Processing School of Materials Science and EngineeringTsinghua UniversityBeijingChina

Conductive Ti_(3)C_(2)T_(x)MXenes have been widely investigated for the construction of flexible and highly-sensitive pressure *** the inevitable oxidation of solution-processed MXene has been recognized,the effect of the irreversible oxidation of MXene on its electrical conductivity and sensing properties is yet to be ***,we construct a highly-sensitive and degradable piezoresistive pressure sensor by coating Ti_(3)C_(2)T_(x)MXene flakes with different degrees of in situ oxidation onto paper substrates using the dipping-drying *** situ oxidation can tune the intrinsic resistance and expand the interlayer distance of MXene *** partially oxidized MXene-based piezoresistive pressure sensor exhibits a high sensitivity of 28.43 kPa^(-1),which is greater than those of pristine MXene,over-oxidized MXene,and state-of-the-art paper-based pressure ***,these sensors exhibit a short response time of 98.3 ms,good durability over 5000 measurement cycles,and a low force detection limit of 0.8 ***,MXene-based sensing elements are easily degraded and environmentally *** MXene-based pressure sensor shows promise for practical applications in tracking body movements,sports coaching,remote health monitoring,and human–computer interactions.

关键词： adjustable sensitivity in situ oxidation interlayer distance MXene pressure sensor

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Simulation Analysis of Thermal Insulation Performance of Diesel Engine Piston Based on Peo and La2zr2o7 Thermal Barrier Coating

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SSRN 2024年

作者： Du, Yuxuan Fei, Chunguang Qian, Zuoqin Zhu, Siwei Shu, Zihao Zhou, Kai School of Naval Architecture Ocean and Energy Power Engineering Wuhan University of Technology Wuhan430063 China State Key Lab of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan430070 China

Traditional TBCs often suffer from limitations like consistently high surface temperatures and a delayed response to sudden variations in cylinder temperatures, which adversely impact engine efficiency. To overcome these challenges, plasma electrolytic oxidation (PEO) technology was employed to engineer TBCs with the sought-after 'thermal swing' feature. Comparative simulations were conducted to assess the thermal characteristics of PEO coatings on pistons, in contrast to standard La2Zr2O7 coatings. The PEO coatings exhibited a markedly quicker and more robust response to cylinder temperature fluctuations. This indicates that PEO coatings are highly effective in adapting swiftly to temperature changes, thereby contributing to enhanced engine performance. Additionally, the PEO coating demonstrated a notable reduction in the end temperature (TE), which is crucial for mitigating the heating effect on intake gas, in comparison to La2Zr2O7 coatings with equivalent thermal insulation properties. However, it was observed that this advantage significantly decreased when the PEO coating thickness surpassed 0.3mm. Drawing from these observations, it is concluded that PEO coatings hold several thermal advantages over La2Zr2O7 coatings, particularly in terms of thermal load management and responsiveness to in-cylinder temperature shifts. These benefits are most pronounced when the PEO coating maintains a thickness below 0.3mm. © 2024, The Authors. All rights reserved.

关键词： Lanthanum compounds

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Scalab.e Assembly of Layered Dielectric Nanocomposites Filled with Perovskite Nanosheets for Flexible Electronics

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SSRN 2024年

作者： Fu, Si Ren, Lele Wang, Jian Liu, Hexing Zhang, Pengchao Shen, Zhonghui Zhang, Xin Tu, Rong Zhang, Song Nan, Ce-Wen Li, Bao-Wen State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan430070 China School of Materials Science and Engineering Wuhan University of Technology Wuhan430070 China State Key Lab of New Ceramics and Fine Processing School of Materials Science and Engineering Tsinghua University Beijing100084 China

Polymer-based dielectrics have attracted much attention in the field of flexible electronics due to their excellent flexibility, dielectric and mechanical properties. However, the rational design of nanofiller-polymer nanocomposite for improving dielectric and mechanical properties remains challenging. Herein, layered nanocomposites filled with high-κ Ca2Nb3O10 perovskite nanosheets were fabricated via shear-flow induced alignment of nanosheets. The hierarchical structure and good dispersion of nanosheets endowed the layered nanocomposites with an outstanding modulus of 12.7 GPa and toughness of 1.8 MJ/m3. Meanwhile, the layered nanocomposites exhibited a high dielectric constant of 14.7, a low dielectric loss of 4.2%, and low leakage current density -7 A/cm2. The layered high-κ nanocomposites designed in this work will have broad application prospects in th flexible electronics. © 2024, The Authors. All rights reserved.

关键词： Perovskite

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Boosting oxygen evolution of LiCoO2 electrocatalysts via lithium defect

Materials Today Catalysis

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materials Today Catalysis 2025年 8卷

作者： Li, Huamei Li, Mengyuan Liao, Lingling Yang, Han Xiang, Kun Luo, Guoqiang Xie, Mingjiang School of Chemistry and Environmental Engineering Engineering Research Center of Phosphorus Resources Development and Utilization of Ministry of Education Wuhan Institute of Technology Wuhan430205 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan430070 China Hubei Key Lab for Processing and Application of Catalytic Materials College of Chemical Engineering Huanggang Normal University Huanggang438000 China

The challenge of the complex oxygen evolution reaction (OER) currently impedes the efficient production of hydrogen via electrolytic water splitting. To address this issue, the development and improvement of effective electrocatalysts are required. LiCoO2, a key material in lithium-ion batteries, has shown promising potential as an electrocatalyst for electrochemical energy conversion. However, OER catalysts derived from LiCoO2 have faced obstacles such as high overpotential and a complicated preparation process. In this study, the preparation method is adjusted to optimize the synthesis of Li1-xCoO2 with a defective structure, resulting in an impressive overpotential of only 290 mV at a current density of 100 mA cm−2 and a remarkable Tafel slope of 15.2 mV dec−1. The exceptional catalytic activity of Li1-xCoO2 can be attributed to the absence of Li, which triggers oxidative alterations in the electronic structure of Co. Density functional theory (DFT) calculations reveal that Li defects can influence the d-band center of active Co sites, enhancing the adsorption capabilities of Co sites towards *OOH intermediates and increasing the conductivity of the electrocatalyst during the OER process. These alterations improve the velocity of the crucial step in the reaction, ultimately boosting the catalyst's overall performance and efficiency. © 2024 The Authors

关键词： Lithium-ion batteries

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Understanding the effect of rare-earth doping in ABO3 ferroelectrics on capacitive energy storage

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Journal of the European Ceramic Society 2025年第14期45卷

作者： Duan, Yu-Lin Wang, Jian Shen, Zhong-Hui Zhou, Meng-Jun Jiang, Jian-Yong Liu, Han-Xing Nan, Ce-Wen State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Center of Smart Materials and Devices Wuhan University of Technology Wuhan430070 China School of Materials and Microelectronics Wuhan University of Technology Wuhan430070 China Wuzhen Laboratory Tongxiang314500 China School of Materials Science and Engineering State Key Lab of New Ceramics and Fine Processing Tsinghua University Beijing100084 China

Rare-earth doping, even in trace amounts, can significantly regulate the energy storage performance of ferroelectric materials by synergistically adjusting microscopic behaviors such as crystal structure and energy bands. However, understanding the mechanisms by which different rare-earth elements influence the energy storage performance such as polarization and breakdown remains a major challenge. To address this, we use density functional theory to systematically investigate the effect of rare-earth doping on the microscopic ferroelectric behavior in three ABO3 perovskite ferroelectrics by substituting A-site or B-site ions with 15 types of rare-earth ions. The results show that when introducing rare-earth ions, lattice structure and electronic state distribution can be rebuilt due to strong volume effect and hybridization, thereby altering the ion displacement polarization, reversal energy barrier, and energy gap. Notably, their effects highly depend on the occupancy of rare-earth ions on the A-site or B-site. For A-site doping, a decrease in the ionic radius of rare-earth ions generally leads to increases in the c/a ratio, polarization strength, reversal energy barrier, and energy gap, whereas B-site doping shows the opposite trends. This work reveals the underlying mechanisms of rare-earth doping on affecting the energy storage performance and provides important theoretical guidance for engineering rare-earth doping in perovskite ferroelectrics. © 2025 Elsevier Ltd

关键词： Crystal lattices

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Planar metasurface‑based concentrators for solar energy harvest:from theory to engineering

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PhotoniX 2022年第1期3卷 38-72页

作者： Cheng Zhang Yujie Zhan Yongxue Qiu Leilei Xu Jianguo Guan Hubei Engineering Research Center of RF‑Microwave Technology and Application School of ScienceWuhan University of TechnologyWuhan 430070China State Key Lab of Advanced Technology for Materials Synthesis and Processing International School of Materials Science and EngineeringWuhan University of TechnologyWuhan 430070China

Solar energy is an inexhaustible renewable energy resource,which is a potential solution to global warming and aids sustainable *** use of solar-thermal collectors to harness solar energy facilitates low-cost heat storage and can improve the stability of power grids based on renewable *** solar-thermal collectors,traditional concentrators,such as parabolic troughs and dishes,are typically used but inevitably require high-precise supports and complex tracking sun systems,which increase the cost of solar-thermal power stations and hinder their further *** contrast,planar meta-lenses(so-called metasurface-based concentrators)consisting of two-dimensional nanostructured arrays are allowed to engineer the frequency dispersion and angular dispersion of the incident light through delicately arranging the aperture phase distribution,thereby correcting their inherent ***,the novel meta-lenses offer tremendous potentials to effectively capture broadband,wide-angle sunlight without the extra tracking *** review summarizes the research motivation,design principles,building materials,and large-area fabrication methods of meta-lens for solar energy harvesting in terms of focusing efficiency,operation bandwidth,and angular *** addition,the main challenges and future goals are examined.

关键词： Solar-thermal collector Metasurface Concentrator Solar energy harvesting

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Flexible high-performance microcapacitors enabled by all-printed two-dimensional nanosheets

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Science Bulletin 2022年第24期67卷 2541-2549,M0004页

作者： Pengxiang Zhang Yushui Fu Xin Zhang Xihua Zhang Bao-Wen Li Ce-Wen Nan Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials(Ministry of Education) Shandong UniversityJinan 250061China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Center of Smart Materials and DevicesWuhan University of TechnologyWuhan 430070China State Key Laboratory of Silicate Materials for Architectures School of Materials Science and EngineeringWuhan University of TechnologyWuhan 430070China State Key Lab of New Ceramics and Fine Processing School of Materials Science and EngineeringTsinghua UniversityBeijing 100084China

Chemically exfoliated nanosheets have exhibited great potential for applications in various electronic ***-based processing strategies such as inkjet printing provide a low-cost,environmentally friendly,and scalab.e route for the fabrication of flexible devices based on functional inks of twodimensional *** this study,chemically exfoliated high-k perovskite nanosheets(i.e.,Ca_(2)Nb_(3)O_(10)and Ca_(2)NaNb_(4)O_(13))are well dispersed in appropriate solvents to prepare printable inks,and then,a series of microcapacitors with Ag and graphene electrodes are *** resulting microcapacitors,Ag/Ca_(2)Nb_(3)O_(10)/Ag,graphene/Ca_(2)Nb_(3)O_(10)/graphene,and graphene/Ca_(2)NaNb_(4)O_(13)/graphene,demonstrate high capacitance densities of 20,80,and 150 nF/cm^(2) and high dielectric constants of 26,*** 200,*** dielectric enhancement in the microcapacitors with graphene electrodes is possibly attributed to the dielectric/graphene *** addition,these microcapacitors also exhibit good insulating performance with a moderate electrical breakdown strength of approximately 1 MV/cm,excellent flexibility,and thermal stability up to 200℃.This work demonstrates the potential of high-k perovskite nanosheets for additive manufacturing of flexible high-performance dielectric capacitors.

关键词： High-k perovskite nanosheets Inkjet printing Microcapacitors Dielectric enhancement Interface effect

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