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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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Triple the steady-state reaction rate by decorating the In_(2)O_(3)surface with SiO_(x)for CO_(2)hydrogenation

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Journal of Energy Chemistry 2024年第8期95卷 96-105,I0003页

作者： Hao Wang Chun Yang Xiaoyan Yu Mingrui Wang Runze Yang Xiaowa Nie Ben Hang Yin Alex C.K.Yip Chunshan Song Guanghui Zhang Xinwen Guo State Key Laboratory of Fine Chemicals Frontier Science Center for Smart MaterialsPSU-DUT Joint Center for Energy ResearchSchool of Chemical EngineeringDalian University of TechnologyDalian 116024LiaoningChina Department of Chemistry the Chinese University of Hong KongHong Kong 999077China Paihau-Robinson Research Institute the MacDiarmid Institute for Advanced Materials and NanotechnologyVictoria University of WellingtonWellington 6012New Zealand Department of Chemical and Process Engineering The University of CanterburyChristchurch 8041New Zealand

Indium oxide(In_(2)O_(3)),as a promising candidate for CO_(2)hydrogenation to C_(1) products,often suffers from sintering and activity decline,closely related to the undesirable structural evolution under reaction *** on the comprehension of the dynamic evolution,this study presents an efficient strategy to alleviate the agglomeration of In_(2)O_(3)nanoparticles by the surface decoration with highly dispersed silica species(SiO_(x)).Various structural characterizations combined with density functional theory calculations demonstrated that the sintering resulted from the over-reduction,while the enhanced stability originated from the anchoring effect of highly stable In-OSi bonds,which hinders the substantial formation of metallic In(In^(0))and the subsequent agglomeration.0.6Si/In_(2)O_(3)exhibited CO_(2)conversion rate of10.0 mmol g^(-1)h^(-1)at steady state vs.3.5 mmol g^(-1)h^(-1)on In_(2)O_(3)in CO_(2)*** steady-state activity was also achieved on Pd-modified *** to the traditional Pd/In_(2)O_(3)catalyst,the methanol production rate of Pd catalyst supported on 0.6Si/In_(2)O_(3)was enhanced by 23%,showing the potential of In_(2)O_(3)modified by SiO_(x)in serving as a platform *** work provides a promising method to design new In_(2)O_(3)-based catalysts with improved activity and stability in CO_(2)hydrogenation.

关键词： CO_(2)hydrogenation In_(2)O_(3)sintering Dynamic structural evolution Surface SiO_(x)modification DFT simulations

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Recent advances and trends of single-atom catalysts for proton exchange membrane fuel cell cathodes

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ChemPhysMater 2024年第2期3卷 143-156页

作者： Zihao Wan Feng Liu Hongfei Xu Shuaili Zhao Zhen An Zizai Ma Zhonghua Zhang Yun Wu Xiaoguang Wang Laboratory of Advanced Materials and Energy Electrochemistry Institute of New Carbon MaterialsCollege of Material Science and EngineeringTaiyuan University of TechnologyTaiyuan 030024China Datong Innoreagen Power Technology Co. LtdDatong 037000China College of Chemistry Taiyuan University of TechnologyTaiyuan 030024China Shanxi Key Laboratory of Gas Energy Efficient and Clean Utilization Taiyuan University of TechnologyTaiyuan 030024China Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials(Ministry of Education) School of Materials Science and EngineeringShandong UniversityJinan250061China Department of Materials Science and Engineering Guangdong University of Petrochemical TechnologyMaoming 525000China

Proton exchange membrane fuel cells(PEMFCs),which have the advantages of high-power density,zero emission,and low noise,are considered ideal electrochemical conversion systems for converting hydrogen(H2)and oxy-gen(O_(2))/air into ***,the oxygen reduction reaction(ORR),which is accompanied by multiple electrons,results in voltage loss and low conversion efficiency of ***,PEMFCs mainly use high-load precious platinum(Pt)to promote the ORR process;however,the high cost of Pt hinders the widespread commercialization of *** the past few years,metal-nitrogen-carbon single-atom catalysts(M-N-C SACs)have attracted considerable attention and have been recognized as potential Pt-based catalysts owing to their outstanding ORR *** review briefly introduces the components of ***,we discuss the catalytic mechanisms of the M-N-C SACs for the ***,the latest advances in noble,non-noble,and heteroatom-doped M-N-C SACs used as ORR and PEMFCs cathode catalysts are systematically *** sum-mary,we have outlined the current challenges and proposed a future perspective of M-N-C SACs for PEMFCs cathodes.

关键词： Proton exchange membrane fuel cells Oxygen reductionreaction Cathode Platinum-based catalysts Metal-nitrogen-carbon single-atom catalysts

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Machine Learning Assisted Design of Natural Rubber Composites with Multi⁃Performance Optimization

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Journal of Harbin Institute of technology(new Series) 2023年第1期30卷 35-51页

作者： Song Pang Yang Yu Huanhuan Liu Youping Wu State Key Laboratory of Organic-Inorganic Composites Beijing University of Chemical TechnologyBeijing 100029China Key Laboratory of Beijing City on Preparation and Processing of Novel Polymer Materials Beijing University of Chemical TechnologyBeijing 100029China Beijing Engineering Research Center of Advanced Elastomers Beijing University of Chemical TechnologyBeijing 100029China

Multi⁃performance optimization of tread rubber composites is a key issue of great concern in automotive *** experimental design approach via“trial and error”or intuition is ineffective due to mutual inhibition among multiple properties.A“Uniform design⁃Machine learning”strategy for performance prediction and multi⁃performance optimization of tread rubber composites was *** wear resistance,rolling resistance,tensile strength and wet skid resistance were simultaneously optimized.A series of feasible optimization designs were screened via statistical analysis and machine learning analysis,and were experimentally *** verification experiments demonstrate that the optimization design via machine learning analysis meets the optimization requirements of all target performance,especially for Akron abrasion and 60℃tanδ(about 21%and 9%lower than the design targets,respectively)due to the inhibition of mechanical degradation and good dispersion of fillers.

关键词： machine learning multi⁃performance optimization natural rubber wear resistance

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Natural dyes in textile printing: parameters, methods, and performance

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Environmental Science and Pollution Research 2024年第35期31卷 47552-47583页

作者： Repon, Md. Reazuddin Islam, Tarekul Paul, Tamal Krishna Jurkonienė, Sigita Haji, Aminoddin Shukhratov, Sharof Toki, Gazi Farhan Ishraque Laboratory of Plant Physiology Nature Research Centre Akademijos g. 2 Vilnius08412 Lithuania Department of Production Engineering Faculty of Mechanical Engineering and Design Kaunas University of Technology Studentų 56 Kaunas51424 Lithuania Department of Textile Engineering Daffodil International University Dhaka1216 Bangladesh ZR Research Institute for Advanced Materials Sherpur2100 Bangladesh Department of Materials Science and Engineering King Fahd University of Petroleum and Minerals Dhahran31261 Saudi Arabia Department of Textile Engineering Faculty of Mechanical Engineering Khulna University of Engineering & ampTechnology Khulna9203 Bangladesh Department of Textile Engineering Yazd University Yazd Iran Department of Technological Education Fergana State University Fergana150100 Uzbekistan State Key Laboratory for Modification of Chemical Fibers and Polymer Materials College of Materials Science and Engineering Donghua University Shanghai201620 China National Institute of Textile Engineering and Research University of Dhaka Dhaka1000 Bangladesh

In recent years, consumer preferences have begun to turn back to natural dyes, whereas synthetic dyes have been pushed into the background over the previous 60 years. This is a result of increased knowledge of the potential hazards associated with the creation of synthetic dyes, which use raw materials derived from petrochemicals and involve intense chemical interactions. Such dyes need a lot of energy to produce, and their negative effects on the environment increase pollution. It has been discovered that several of these dyes, particularly the azo-based ones are carcinogenic. On the contrary, natural dyes are getting more attention from scientists and researchers as a result of their several advantages like being eco-friendly, biodegradable and renewable, sustainable, available in nature, having no disposal problems, minimizing the consumption of fossil fuel, anti-bacterial, insect repellent, and anti-allergic, anti-ultraviolet, intensify dyeing and finishing process efficiency, less expensive, and no adverse effects on human health and environment. However, there are also some drawbacks, like poor fastness properties, natural dye printing for bulk production, difficulties in reproducibility of shades, and so forth. Despite all these limitations, the demand for natural dyes is increasing significantly in textile industries because they offer far more safety than synthetic dyes. This study provides an overall concept of the natural dyes in textile printing. It illustrates parameters of printing performance, methods, and techniques of extraction of natural dyes, printing methods, and printing of natural and synthetic fibers. Finally, this study describes the challenges and future prospects of natural dyes in textile printing. © The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature 2024.

关键词： textile industry

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碱性和酸性条件下均稳定的高效氧电催化剂:具有多活性中心的多孔纳米片复合材料

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Science China materials 2023年第4期66卷 1407-1416页

作者：夏雁楠程义王锐孟子寒迈耶昆庭赵川张海宁罗任李扬唐浩林 State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China Foshan Xianhu Laboratory of the Advanced Energy Science and Technology Guangdong Laboratory Xianhu Hydrogen ValleyFoshan 528200China Hunan Provincial Key Laboratory of Nonferrous Value-added Metallurgy Central South UniversityChangsha 410083China School of Chemistry The University of New South WalesSydneyNew South Wales2052Australia

可逆的氧还原反应(ORR)和氧析出反应(OER)需要多种类型的活性中心来缓冲质子耦合/解耦的四电子过程.本文通过一种简单环保的熔融NaCl模板法合成了碳包覆FeNi合金、金属-N物种和N缺陷共掺杂的多孔纳米片(FeNi-N/PCN).得到的FeNi-N/PCN作... 详细信息

可逆的氧还原反应(ORR)和氧析出反应(OER)需要多种类型的活性中心来缓冲质子耦合/解耦的四电子过程.本文通过一种简单环保的熔融NaCl模板法合成了碳包覆FeNi合金、金属-N物种和N缺陷共掺杂的多孔纳米片(FeNi-N/PCN).得到的FeNi-N/PCN作为氧电催化剂在碱性(E_(1/2)为0.88 V_(RHE),E_(j=10)为1.57 V_(RHE))和酸性介质(E_(1/2)为0.78 V_(RHE),E_(j=10)为1.76 V_(RHE))中均表现出优异的ORR和OER性能.此外,该FeNi-N/PCN催化剂在锌空气电池中表现出224 m W c m^(-2)的功率密度和691 m A h g^(-1)的比容量,分别是Pt/RuO_(2)组合的1.34和1.20倍.这些优异的性能可以归因于具有多类型活性位点的层状碳纳米片结构,包括碳包覆FeNi合金、N缺陷和金属-N位点(M–N_(x)).

关键词：碳纳米片 FeNi合金电催化剂锌空气电池氧析出反应多孔纳米片碳包覆酸性介质

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Microstructure,wear and friction behavior of CoCrAITaY-xCNTs composite coatings deposited by laser-induction hybrid cladding

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Rare Metals 2024年第4期43卷 1815-1827页

作者： Sheng-Feng Zhou Yu Long Yan-Liang Yi Cheng Deng Lian-Xi Hu Institute of Advanced Wear&Corrosion Resistant and Functional Materials Jinan UniversityGuangzhou510632China Wuhan National Laboratory for Optoelectronics(WNLO) Huazhong University of Science and TechnologyWuhan430074China MOE Key Laboratory of New Processing Technology for Non-Ferrous Metals and Materials Guangxi Key Laboratory of Processing for Non-Ferrous Metals and Featured MaterialsGuangxi UniversityNanning530004China School of Mechatronics Engineering Guangdong Polytechnic Normal UniversityGuangzhou510635China School of Materials Science and Engineering Harbin Institute of TechnologyHarbin150001China

To improve the wear performance of CoCrAlYTa coating,part of the carbon nanotubes(CNTs)chemically reacted with Ta to form reinforcement phase(TaC),while the other CNTs were retained as lubrication ***,the CoCrAlYTa-xCNTs(x=0,1,2,and 4;wt%)composite coatings were prepared by laserinduction hybrid cladding(LIHC),and the microstructure and wear resistance of coatings were systematically *** show that the coatings are mainly composed of TaC,y-(Co,Cr)andβ-(Co,Cr)*** the CNTs content increases from 0 wt%to 4 wt%,the volume fraction of TaC increases from 13.11 vol%to 16.12 vol%.Meanwhile,the nano-hardness ofγ-(Co,Cr)andβ-(Co,Cr)Al are improved from 7.49 and 9.72 to 9.36 and 11.19 GPa,*** a result,the microhardness of coating increases from HV536.25 to HV 738.16,the wear rate decreases from32.4×10^(-3)to 6.1×10^(-3)mg·m^(-1),and the average friction coefficient decreases from 0.55 to *** good wear performance of the coating is attributed to the formation of TaC and the existence of remained CNTs lubricant film.

关键词： Carbon nanotube MCrAlY coating Friction and wear performance Laser-induction hybrid cladding

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Natural keratin-based Fe-S_(1)N_(3) single atom catalyst for insights into the coordination regulation effect of Fenton-like catalysis with high efficiency

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Nano Research 2023年第7期16卷 9003-9011页

作者： Zhiyi Sun Yujuan Wei Ting Cao Zheng Liu Rui Sui Xiang Li Jiajing Pei Zhuo Chen Shuo Wang Energy&Catalysis Center School of Materials Science and EngineeringBeijing Institute of TechnologyBeijing 100081China College of Textile and Garments Hebei University of Science&TechnologyThe Innovation Center of Textile and Garment TechnologyHebei 050018China State Key Laboratory of Environmental Criteria and Risk Assessment Chinese Research Academy of Environmental SciencesBeijing 100012China SEPA Key Laboratory of Eco-Industry Chinese Research Academy of Environmental SciencesBeijing 100012China Department of Chemistry Tsinghua UniversityBeijing 100084China Advanced Research Institute of Multidisciplinary Science Beijing Institute of TechnologyBeijing 100081China Institute of High Energy Physics Chinese Academy of SciencesBeijing 100049China

Single atom catalysts(SACs)have attracted great attention,yet the quest for highly-efficient catalysts is driven by the current obstacles of ambiguous structure-performance ***,we report a nature keratin-based Fe-S_(1)N_(3)SACs with ultrathin two-dimensional(2D)porous carbon nanosheets structure,by controlling the active center through the precise coordination of sulfur and *** with natural silk-based Fe-N_(4) catalyst,the Fe-S_(1)N_(3)SACs exhibit excellent Fenton-like oxidation degradation ability.X-ray absorption fine structure(XAFS)and electron paramagnetic resonance(EPR)results confirm that S doping is conducive to electron transfer,to accurately generate·OH with high oxidative degradation capacity at the active ***,the optimized Fe-S_(1)N_(3)catalyst showed higher oxidation degradation activity for organic pollutant substrates(methylene blue(MB),Rhodamine B(RhB)and phenol),significantly superior to Fe-N_(4) *** work is devoted to the treatment and application of natural fibers,which provides a novel method for the synthesis of SACs and the regulation of atomic coordination environment.

关键词： iron single atom atomic regulation natural fiber Fenton-like catalysis

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Magnetic field-enhanced photoelectrochemical water splitting of Co_(3)O_(4)/TiO_(2)for efficient oxygen evolution

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Science China materials 2024年第10期67卷 3168-3175页

作者： Ze-En Zhou Yi Lu Yi-Xuan Liu Shang Cao Ge Tian Zhi-Yi Hu Ling Shen Si-Ming Wu Jie Ying Wei Geng Xiao-Yu Yang State Key Laboratory of Advanced Technology for Materials Synthesis and Processing&Shenzhen Research Institute&Laoshan Laboratory Wuhan University of TechnologyWuhan 430070China National Energy Key Laboratory for New Hydrogen-Ammonia Energy Technologies Foshan Xianhu LaboratoryFoshan 528200China Nanostructure Research Centre(NRC) Wuhan University of TechnologyWuhan 430070China School of Chemical Engineering and Technology Sun Yat-sen UniversityZhuhai 519082China

Effective separation of photogenerated carriers plays a vital role in governing the efficiency of photo-electrocatalytic ***,the advancement in enhancing the intrinsic carrier separation efficiency of semiconductors has shown limited ***,we reported the use of a magnetic field to improve the photoelectrochemical water splitting of a magnetic Co_(3)O_(4)/TiO_(2)photoanode by boosting the photogenerated carrier separation *** the presence of the magnetic field,oxygen evolution reaction occurs with a high photocurrent density of 0.86 mA cm^(−2)at 1.23 V versus VRHE,and an applied bias photon-to-current efficiency of 0.342%at 0.61 ***,the photoanode maintains its oxygen evolution reaction for more than 400 h with photocurrent decays by ca.10%.Observations made in this effort show that the enhancement of photo-electrocatalytic efficiency by a magnetic field is a consequence of the effect of the Lorentz force generated by the magnetic field on photogenerated carriers and ions near the Co_(3)O_(4)/TiO_(2)photoanode,which improves the carrier separation efficiency and the bubble release *** results suggest that manipulating photoelectrode carriers by using a magnetic field is a promising strategy to design high-performance photoelectrochemical for water splitting.

关键词： photoelectrochemical water splitting Co_(3)O_(4)/TiO_(2) carrier separation efficiency stability

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Regulating Open Metal Sites in Metal-Organic Frameworks to Tame Luminescence Sensing

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CCS Chemistry 2025年第5期7卷 1396-1402页

作者： Zongsu Han Yifan Guo Rongran Liang Kun-Yu Wang Yihao Yang Yue Mao Tiankai Sun Mengmeng Wang Yann Garcia Peter R.Taylor Wei Shi Hong-Cai Zhou Department of Chemistry Texas A&M UniversityCollege StationTexas 77843 School of Pharmaceutical Science and Technology Tianjin UniversityTianjin 300072 Frontiers Science Center for New Organic Matter Key Laboratory of Advanced Energy Materials Chemistry(MOE)and State Key Laboratory of Advanced Chemical Power SourcesCollege of ChemistryNankai UniversityTianjin 300071 Institute of Condensed Matter and Nanosciences Molecular ChemistryMaterials and Catalysis(IMCN/MOST)Universitécatholique de Louvain1348 Louvain-laNeuve

Open metal sites(OMSs)represent a distinctive feature of metal-organic frameworks(MOFs),intertwined with guest accommodation and energy transfer within nanosized ***-tuning OMSs provide an effective approach to regulating MOF’s responsiveness and binding affinity towards guests,allowing for the construction of luminescent sensors for specific *** a strategy remains unexplored due to the inherent complexity of the systems and sensing ***,we delicately regulated the OMSs in PCN-700 through multiple synthetic methodologies,including direct synthesis,linker installation,and linker *** resultant MOFs consist of Zr6-clusters featuring various coordination ***,PCN-700-8u with unsaturated 8-coordinated Zr-clusters exhibited the highest sensitivity in detecting a toxic pesticide pentachloronitrobenzene(PCNB)due to the presence of strong coordination interaction,as validated through single crystal X-ray diffraction ***-700-10u/12u bearing unsaturated 10/12-coordinated clusters perform lower quenching efficiencies than PCN-700-8u,but higher than PCN-700-12s with saturated *** contrast,all these MOFs exhibit similar quenching efficiencies towards hexachlorobenzene for the absence of coordination *** study not only develops a cost-effective and easily attainable material for PCNB detection,but also illuminates the pivotal importance of OMSs in customizing MOF-based sensors for practical applications.

关键词： open metal site metal-organic framework luminescent sensor hazardous substance detection linker installation

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