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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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Microstructuring Conductive Electrospun Mats for Enhanced Electro‑active Biofilm Growth and High‑Performance Bioelectrocatalysis

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advanced Fiber materials 2023年第5期5卷 1699-1711页

作者： Min Li Hao Lu Jiadong Hu Xuemei Xiang Yanling Zheng Wenhu Gao Wei Sun Wei Wang Zhisong Lu Yan Qiao Institute for Clean Energy and Advanced Materials School of Materials and EnergySouthwest UniversityChongqing 400715People’s Republic of China Sino‑Singapore Joint Laboratory of Materials and Technologies for Proactive Health Monitoring School of Materials and EnergySouthwest UniversityChongqing 400715People’s Republic of China Experimental Center for Virtual Simulation of Sports and Health Southwest UniversityChongqing 400715People’s Republic of China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University TechnologyWuhan 430070People’s Republic of China Hubei Longzhong Lab Xiangyang 441000People’s Republic of China Key Laboratory of Laser Technology and Optoelectronic Functional Materials of Hainan Province College of Chemistry and Chemical EngineeringHainan Normal UniversityHaikou 571158People’s Republic of China Singapore Institute of Manufacturing Technology Singapore 138669Singapore

Electrospun materials have attracted considerable attention in microbial fuel cells(MFC)owing to their porous structures,which facilitate the growth of electro-active biofilms(EABs).However,the impact of fiber diameter-controlled porous architectures on EAB growth and MFC performance has not been extensively ***,a highly conductive polypyrrole-modified electrospun polyacrylonitrile(PAN)mat was prepared as an electrode material for Shewanella putrefaciens CN32-based *** dominant pore size of the corresponding mat increases from 1 to around 20μm as the fiber diameter increases from 720 to 3770 *** variation affects the adhesion and growth behaviors of electrochemically active bacteria on the mat-based *** electrodes with poresranging from 2 to 10μm allow bacterial penetration into the interior,leading to significant biofilm loading and effective ***,the tight lamination of the electrospun fibers restricts bacterial growth in the deep interior *** developed a friction-induced triboelectric expanding approach to rendering the mats with layered structures to overcome this *** inter-layer spaces of the expanded conductive mat can facilitate bacterial loading from both sides of each layer and serve as channels to accelerate the catalysis of organic ***,the expanded conductive mat with appropriate pore sizes delivers superior bioelectrocatalytic performance in MFCs and dye *** on the findings,a mechanism for the porous structure-controlled EAB formation and bioelectrocatalytic performance was *** work may provide helpful guidance and insights for designing microfiber-based electrodes for microbial fuel cells.

关键词： Electrospun mat Porous structure Bioelectrocatalysis Microbial fuel cells Polypyrrole

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Microstructure and thermal performance of Al2(1-x)Mg xTi1+xO5

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Xiyou Jinshu Cailiao Yu Gongcheng/Rare Metal materials and Engineering 2002年第SUPPL. 1期31卷 91-91页

作者： Shen, Qiang Zhang, Lianmeng Fang, Qing Wang, Chuanbin State Key Lab of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 China

The solid solutions of Al2(1.x)MgxTi 1+xO5 (x=0,0.01,0.05,0.1) were fabricated by the solid phase reaction method, and they were sintered under normal pressure. The thermal performance of Al2(1-x)MgxTi1+xO 5 was mainly investigated. The results show that, the additive MgTi2O5 can not only restrain the decomposition of Al 2TiO5, but also greatly improve the densification of the solid solutions. With increasing mole percent of x, the thermal stability of Al2(1-x)MgxTi1+xO5 increases and the expansion coefficient decreases.

关键词： Al2(1-x)MgxTi1+xO5 Microstructure Thermal decompose Thermal expansion

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Density functional theory investigation of oxygen interaction with boron-doped graphite

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Applied Surface Science 2016年 390卷 273-282页

作者： Juan Liu Chen Wang Tongxiang Liang Wensheng Lai State Key Lab of New Ceramic and Fine Processing Institute of Nuclear and New Energy Technology Tsinghua University Beijing 100084 China Advanced Material Laboratory School of Materials Science & Engineering Tsinghua University Beijing 100084 China

Boron inserted as impurity by substitution of carbon atoms in graphite is known to change (improve or deteriorate) oxidation resistance of nuclear graphite, but the reason for both catalytic and inhibiting oxidation is still uncertain. As a first step, this work is more specially devoted to the adsorption and diffusion of oxygen atoms on the surface and related to the problem of oxygen retention on the pure and boron-containing graphite surfaces. Adsorption energies and energy barriers associated to the diffusion for molecular oxygen recombination are calculated in the density functional theory framework. The existence of boron modifies the electronic structure of the surface, which results in an increase of the adsorption energy for O. However, low boron loading makes it easier for the recombination into molecular oxygen. For high boron concentration, it induces a better O retention capability in graphite because the presence of B-B bonds decreases recombination of the adsorbed oxygen atoms. A possible explanation for both catalytic and inhibiting effects of boron in graphite is proposed.

关键词： Density functional calculations Chemisorption Graphite Boron Oxygen

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Strongly Enhancing the Energy Storage Properties and Stability of Amorphous BaTiO3 Thin Films via Ions Doping

SSRN

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SSRN 2024年

作者： Chang, Ruiling Yao, Zhonghua Xing, Yutong Wang, Jun Hao, Hua Cao, Minghe Liu, Hanxing State Key Laboratory of Advanced Technology for Materials Synthesis and Processing School of Material Science and Engineering Wuhan University of Technology Wuhan430070 China International School of Material Science and Engineering Wuhan University of Technology Wuhan430070 China Sanya Science and Education Innovation Park of Wuhan University of Technology Sanya572000 China

Amorphous thin films with high power density and breakdown strength satisfy the needs of advanced power electronic systems. Nonetheless, improving the energy storage density of amorphous films is critical for addressing the growing demand for electricity. We apply high spontaneous polarization BaTiO3 as the main component to make (1-x)Ba(Ti0.99Mn0.02)O3-xBiFeO3((1-x)BTM-xBF) thin films. Doping BiFeO3 (BF) synergistically boosts polarization. The introduction of amorphous phases and Mn ions enhances the breakdown strength. The results demonstrate that, at x=0.10, the film can achieve both a high efficiency of 80.3% and an excellent energy storage density of 111.3 J cm-3. Moreover, the film has a strong thermal stability within a broad range of 20°C ~ 160°C, as well as the cycling reliability is as high as 105 times. The present study offers a practical approach to develop film capacitors with outstanding energy storage capabilities. © 2024, The Authors. All rights reserved.

关键词： Amorphous films

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Preface to Special Issue for Chinese Symposium on Photocatalytic materials(CSPM)

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Chinese Journal of Catalysis 2019年第3期40卷 239-239页

作者：余家国李鑫李朝晖 State Key Laboratory of Advanced Technology for Material Synthesis and Processing Wuhan University of Technology College of Forestry and Landscape Architecture Key Laboratory of Energy Plants Resource and Utilization Ministry of Agriculture South China Agricultural University State Key Laboratory of Photocatalysis on Energy and Environment College of Chemistry Fuzhou University

The Chinese Symposium on Photocatalytic materials (CSPM) was held at the Wuhan University of technology, Wuhan, China on July 26-29, 2018. The CSPM symposium was jointly organized by Wuhan University of technology, Fuzhou University and Xuchang University, and was supported by National Natural Science Foundation of China (NSFC), Wuhan University of technology, Fuzhou University, Xuchang University, Beijing Perfectlight and others. More than 320 colleagues from four continents (Asia, America, Australia and Europe) participated in this symposium, and presented 10 plenary lectures, 13 keynote lectures, 35 invited lectures, 8 oral lectures and 144 posters. 10 best posters were selected.

关键词：光催化材料学术研讨会

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Bronze TiO2 as a cathode host for lithium-sulfur batteries

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能源化学 2020年第9期48卷 259-266页

作者： Wenjing Dong Di Wang Xiaoyun Li Yuan Yao Xu Zhao Zhao Wang Hong-En Wang Yu Li Lihua Chen Dong Qian Bao-Lian Su State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 Hubei China State Key Laboratory of Silicate Material for Architectures Wuhan University of Technology Wuhan 430070 Hubei China Beijing National Laboratory of Condensed Matter Physics Institute of Physics Chinese Academy of Sciences Beijing 100190 China Institute of Chemical Materials Chinese Academy of Engineering Physics Mianyang 621900 Sichuan China College of Chemistry and Chemical Engineering Central South University Changsha 410083 Hunan China Laboratory of Inorganic Materials Chemistry (CMI) University of Namur B-5000 Namur Belgium

Lithium-sulfur batteries (LSBs) are very promising for large-scale electrochemical energy ***,dissolution and shuttling of lithium polysulfides (LiPSs) intermediates have severely affected their overall electrochemical properties and limited their practical *** polar cathode hosts that can effectively bind LiPSs and simultaneously promote their redox conversion is crucial for realizing high-performance ***,we report bronze TiO2 (TiO2-B) nanosheets (-5 nm in thickness) chemically bonded with carbon as a novel multifunctional cathode host for advanced *** lobservation and first-principles density functional theory (DFT) calculations reveal that the TiO2-B with exposed (100) plane and Ti3+ ions exhibited high chemical affinity toward polysulfides and effectively confined them at ***,Ti3+ ions and interface coupling with carbon promoted electronic conductivity of the composite cathode,leading to enhanced redox conversion kinetics of LiPSs during charge/***,the as-assembled TiO2-B/S cathode manifested high capacity (1165 mAh/g at 0.2 C),excellent rate capability (244 mAh/g at 5 C) and outstanding cyclab.lity (572 mAh/g over 500 cycles at 0.2 C).This work sheds insights on rational design and fabrication of novel functional electrode materials for beyond Li-ion batteries.

关键词： Titanium dioxide Cathode Polysulfides Shuttle effect Lithium-sulfur batteries Electrochemistry Density functional theory

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

SSRN

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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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Resistive switching in Pt/CuxO/Si/Pt device

Resistive switching in Pt/CuxO/Si/Pt device

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中国物理学会2013年秋季学术会议

作者： Linlin Wei Dashan Shang Jirong Sun Zhigang Sun State Key Laboratory of Advanced Technology for Material Synthesis and Processing Wuhan University of TechnologyWuhan 430070People''s Republic of China Beijing National Laboratory for Condensed Matter Physics and Institute of PhysicsChinese Academic of SciencesBeijing 100190People''s Republic of China State Key Laboratory of Advanced Technology for Material Synthesis and ProcessingWuhan University of TechnologyWuhan 430070People''s Republic of China Beijing National Laboratory for Condensed Matter Physics and Institute of Physics Chinese Academic of SciencesBeijing 100190People''s Republic of China

Nanoionics-based memristive devices(NIMD)have attracted intensive attention in recent years due to their potential application in resistive random access memory(RRAM)as well as reconfigurable logic devices [1,2].

关键词： memristive switching uniform-like switching ion migration nonvolatile memory

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Enhanced stability of highly-dispersed copper catalyst supported by hierarchically porous carbon for long term selective hydrogenation

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催化学报 2020年第7期41卷 1081-1090页

作者： Hu Nian Li Xiaoyun Liu Siming Wang Zhao He Xiaoke Hou Yuexin Wang Yuxiang Deng Zhao Chen Lihua Su Baolian Laboratory of Living Materials Wuhan University of Technology the State Key Laboratory of Advanced Technology for Material Synthesis and Processing Hubei Wuhan 430070 Wuhan University of Technology State Key Laboratory of Silicate Materials for Architectures Hubei Wuhan 430070 Laboratory of Inorganic Materials Chemistry (CMI) University of Namur Belgium Namur B-5000 Clare Hall University of Cambridge Cambridge CB3 9AL

Copper based catalysts have high potential for the substituent of noble-metal based catalysts as their high selectivity and moderate activity for selective hydrogenation reaction; however, achieving further high catalytic stability is very difficult. In this work, the carbonization process of Cu-based organic frameworks was explored for the synthesis of highly-dispersed Cu supported by hierarchically porous carbon with high catalytic performance for selective hydrogenation of 1,3-butadiene. The porous hierarchy of carbon support and the dispersion of copper nanoparticles can be precisely tuned by controlling the carbonization process. The resultant catalyst carbonized at 600 °C exhibits a rather low reaction temperature at 75 °C for 100% butadiene conversion with 100% selectivity to butenes, due to its reasonable porous hierarchy and highly-dispersed copper sites. More importantly, unprecedentedly stability of the corresponding Cu catalyst was firstly observed for selective 1,3-butadiene hydrogenation, with both 100% butadiene conversion and 100% butenes selectivity over 120 h of reaction at 75 °C. This study verifies that a simply control the carbonization process of metal organic frameworks can be an effective way to obtain Cu-based catalysts with superior catalytic performance for selective hydrogenation reaction.

关键词： Hierarchically porous structure Catalyst Cu/C Selective hydrogenation Metal organic frameworks

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