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Grain boundary effects on piezoelectric properties of the core–shell-structured BaTiO_(3)@TiO_(2) ceramics

Journal of advanced Dielectrics 2018年第6期8卷 118-126页

作者： Xixi Li Zhonghua Yao Juan Xie Zongxin Li Hua Hao Minghe Cao Amjad Ullah Atta Ullah Abdul Manan Hanxing Liu State Key Laboratory of Advanced Technology for Materials Synthesis and Processing School of Material Science and Engineering Wuhan University of Technology Wuhan 430070P.R.China Department of Physics University of Science and Technology BannuKPKPakistan

Grain boundary effect on BaTiO_(3) has been widely investigated for several ***,all of them tailored the grain boundary by grain size of BaTiO_(3).In this case,a direct way was introduced to modify the grain boundary by coating technique to investigate the role of grain boundary in ferroelectric *** phase TiO_(2) was employed to investigate grain boundary effects on the electrical properties of BaTiO3 piezoelectric ***_(2) coating can result in the reduction of piezoelectric and ferroelectric properties and the annealing process in oxygen can increase piezoelectric behavior of pure BaTiO3 due to valence state of Ti ions while that remains for Ti-modified composition possibly due to the increased grain boundary effect by impedance *** with ferroelectric grain,grain boundary plays a critical role to impact the electrical properties of perovskite-type ferroelectric materials.

关键词： Piezoelectric properties ferroelectric properties BaTiO3 and titanates defects

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Spatial Heterojunction in Nanostructured TiO2 and Its Cascade Effect for Efficient Photocatalysis

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Nano letters 2020年第5期20卷 3122-3129页

作者： Yi Lu Xiao-Long Liu Li He Yue-Xing Zhang Zhi-Yi Hu Ge Tian Xiu Cheng Si-Ming Wu Yuan-Zhou Li Xiao-Hang Yang Li-Ying Wang Jia-Wen Liu Christoph Janiak Gang-Gang Chang Wei-Hua Li Gustaaf Van Tendeloo Xiao-Yu Yang Bao-Lian Su State Key Laboratory of Advanced Technology for Materials Synthesis and Processing & School of materials science and engineering & School of Chemistry Chemical Engineering and Life Science Wuhan University of Technology Wuhan 430070 China. Southern Marine Science and Engineering Guangdong Laboratory (Zhuhai) & School of Chemical Engineering and Technology School of Materials Sun Yat-sen University Zhuhai 519000 China. Hubei Collaborative Innovation Center for Advanced Organic Chemical Materials Ministry-of-Education Key Laboratory for the Synthesis and Application of Organic Functional Molecules College of Chemistry and Chemical Engineering Hubei University Wuhan 430062 China. Nanostructure Research Centre Wuhan University of Technology Wuhan 430070 China. Electron Microscopy for Materials Science University of Antwerp Antwerpen B-2020 Belgium. College of Chemistry Jilin University Changchun 130023 China. State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics Wuhan Institute of Physics and Mathematics The Chinese Academy of Sciences Wuhan 430071 China. Institut für Anorganische Chemie und Strukturchemie Heinrich-Heine-Universität Düsseldorf Düsseldorf 40204 Germany. School of Engineering and Applied Sciences Harvard University Cambridge 02138 Massachusetts United States. Laboratory of Inorganic Materials Chemistry University of Namur Namur B-5000 Belgium.

A highly efficient photoenergy conversion is strongly dependent on the cumulative cascade efficiency of the photogenerated carriers. Spatial heterojunctions are critical to directed charge transfer and, thus, attractive but still a challenge. Here, a spatially ternary titanium-defected TiO@carbon quantum dots@reduced graphene oxide (denoted as @CQDs@rGO) in one system is shown to demonstrate a cascade effect of charges and significant performances regarding the photocurrent, the apparent quantum yield, and photocatalysis such as H production from water splitting and CO reduction. A key aspect in the construction is the technologically irrational junction of Ti-vacancies and nanocarbons for the spatially inside-out heterojunction. The new "spatial heterojunctions" concept, characteristics, mechanism, and extension are proposed at an atomic-/nanoscale to clarify the generation of rational heterojunctions as well as the cascade electron transfer.

关键词： Ti-vacancy carbon dioxide reduction cascade effect seawater splitting spatial heterojunction

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Trifunctional Single-Atomic Ru Sites Enable Efficient Overall Water Splitting and Oxygen Reduction in Acidic Media

SSRN

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SSRN 2020年

作者： Peng, Xianyun Mi, Yuying Zhao, Shunzheng Liu, Xijun Qi, Defeng Sun, Jiaqiang Liu, Yifan Bao, Haihong Qu, Di Zhuo, Longchao Ren, Junqiang Luo, Jun Sun, Xiaoming Center for Electron Microscopy Tianjin Key Lab of Advanced Functional Porous Materials Institute for New Energy Materials & Low-Carbon Technologies School of Materials Science and Engineering Tianjin University of Technology Tianjin300384 China Department of Environmental Engineering University of Science and Technology Beijing Beijing100083 China State Key Laboratory of Coal Conversion Institute of Coal Chemistry Chinese Academy of Sciences Taiyuan Shanxi 030001 China College of Physics and Optoelectronic Engineering Shenzhen University Shenzhen518060 China Innovation Center of Advanced Optoelectronic Chip Institute for Electronics and Information Technology in Tianjin Tsinghua University Tianjin300467 China School of Materials Science and Engineering Xi'an University of Technology Xi'an710048 China State Key Laboratory of Advanced Processing and Recycling of Nonferrous Metals Lanzhou University of Technology Lanzhou730050 China State Key Laboratory of Chemical Resource Engineering Beijing Advanced Innovation Centre for Soft Matter Science and Engineering Beijing University of Chemical Technology Beijing100029 China

Development of cost-effective, active trifunctional catalysts for acidic oxygen reduction (ORR) as well as hydrogen- and oxygen-evolution reactions (HER and OER, respectively) is highly desirable, albeit challenging. Herein, single-atomic Ru sites anchored onto Ti3C2Tx MXene nanosheets are first reported to serve as trifunctional electrocatalysts for simultaneously catalyzing acidic HER, OER, and ORR. A half-wave potential of 0.80 V for ORR and small overpotentials of 290 mV and 70 mV for OER and HER, respectively, at 10 mA cm−2 are achieved. Hence, a low cell voltage of 1.56 V is required for the acidic overall water splitting. The maximum power density of an H2–O2 fuel cell using the as-prepared catalyst can reach as high as 941 mW cm−2. Theoretical calculations revealed that isolated Ru–O2 sites can effectively optimize the adsorption of reactants/intermediates and lower the energy barriers for the potential-determining steps, thereby accelerating the HER, ORR, and OER kinetics. © 2020, The Authors. All rights reserved.

关键词： Electrolytic reduction

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Nitrogen-doped Porous Carbon Derived from Surface-attached Polymer Layers for Oxygen Reduction Reaction under Acidic Conditions

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Journal of Wuhan University of technology(materials Science) 2017年第6期32卷 1287-1292页

作者：潘向川 BOAKYE Felix Ofori LIU Kai 张海宁 State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 China

We reported the synthesis of nitrogen-doped carbon using surface-attached polyelectrolyte layers as precursors. The synthesized material has a large surface area of 800 m^2·g^-1 with uniformed pore distribution. Benefitfed from the high pyridinic nitrogen content, the synthesized nitrogen-doped porous carbon material exhibits promising electrocatalytic activity toward oxygen reduction reactions in acidic medium and very high stability against continuous cyclic voltammetry scans. The experimental results demonstrate that surface-attached polyelectrolyte layers are promising carbon and nitrogen sources for the formation of heteroatom-doped porous carbon materials.

关键词： mesoporous materials polyelectrolyte carbon surface-attachment oxygen reduction stability

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A Facile Route for the synthesis of New 1D manganese(II) Coordination Polymer As Precursors for the Preparation of Nanostructures of Mn3O4: Crystallography, Hirshfeld Surface Analysis and Molecular Docking Studies

SSRN

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SSRN 2022年

作者： Gurbanov, Atash V. Pourshirband, Nafiseh Sharafi-Badr, Paria Rostamnia, Sadegh Hayati, Payam Souri, Bagher Eshghi, Fazlolah Kaminsky, Werner Mahmoudi, Ghodrat Verpoort, Francis Centro de Química Estrutural Institute of Molecular Sciences Instituto Superior Técnico Universidade de Lisboa Av. Rovisco Pais Lisboa1049-001 Portugal Department of Chemistry Baku State University Z. Khalilov Str. 23 BakuAZ 1148 Azerbaijan Department of Chemistry Shahreza Branch Islamic Azad University P.O. Box 311-86145 Shahreza Isfahan Iran Department of Pharmacognosy and Pharmaceutical Biotechnology School of Pharmacy Iran University of Medical Sciences Tehran Iran PO Box 16846-13114 Tehran Iran Department of Chemistry Faculty of Sciences University of Sistan and Baluchestan Zahedan Iran Department of Chemistry College of Sciences Shiraz University Shiraz Iran X-ray Crystallography Laboratory University of Washington United States Department of Chemistry Faculty of Science University of Maragheh P.O. Box 55136-83111 Maragheh Iran State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan430070 China

The novel metal-organic coordination polymers (MOCP) with the general chemical formula [Mn2L(SCN)2(OH)2]***3OH [L=1,5-bis(pyridine-4-ylmethylene) carbonohydrazide] {1} were synthesized by using two techniques, solvothermal and sonochemical ultrasonic-assisted. The effects of sonication power, reaction time, concentration of reactants, and temperature were examined on their impact on influencing the size and morphology of the *** findings have discovered that all parameters have an inverse impact on the size and morphology of 1. However, this study determined that temperature and sonication power do not control the crystals' size and morphology. SEM further analyzed the prepared microcrystals of MOCPs to examine the surface morphology and XRD, elemental evaluation composition, and FT-IR spectroscopy to clarify the functional groups of the prepared Mn-MOCPs. In the following, the calcination of 1 in the air atmosphere resulted in the production of Mn3O4 nanoparticles at 650 °C. The geometric and electronic structure of the MOCPs is evaluated in the density functional theory (DFT) framework. Molecular docking methodologies show that the best cavity of the human androgen receptor has −116.3 kJ mol−1 interaction energy involving bonding and non-bonding. © 2022, The Authors. All rights reserved.

关键词： Density functional theory

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Managing Secondary Phase Lead Iodide in Hybrid Perovskites via Surface Reconstruction for High-Performance Perovskite Solar Cells with Robust Environmental Stability

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Angewandte Chemie 2023年第18期135卷

作者： Linfeng Ye Dr. Pengfei Guo Dr. Jie Su Kaiyuan Zhang Chen Liu Penghui Yang Wenhao Zhao Pengzhen Zhao Prof. Zhe Liu Prof. Jingjing Chang Dr. Qian Ye Prof. Hongqiang Wang State Key Laboratory of Solidification Processing Center for Nano Energy Materials School of Materials Science and Engineering Northwestern Polytechnical University and Shaanxi Joint Laboratory of Graphene (NPU) Xi'an 710071 China Contribution: Investigation (lead) Methodology (lead) Writing - original draft (equal) Writing - review & editing (equal) Chongqing Innovation Center Northwestern Polytechnical University Chongqing 401135 China Contribution: Investigation (equal) Writing - original draft (equal) Writing - review & editing (equal) School of Microelectronics State Key Discipline Lab of Wide Band Gap Semiconductor Technology Shaanxi Joint Key Lab of Graphene Advanced Interdisciplinary Research Center for Flexible Electronics Xidian University Xi'an 710071 China

Rationally managing the secondary-phase excess lead iodide (PbI 2 ) in hybrid perovskite is of significance for pursuing high performance perovskite solar cells (PSCs), while the challenge remains on its conversion to a homogeneous layer that is robust stable against environmental stimuli. We herein demonstrate an effective strategy of surface reconstruction that converts the excess PbI 2 into a gradient lead sulfate-silica bi-layer, which substantially stabilizes the perovskite film and reduces interfacial charge transfer barrier in the PSCs device. The perovskite films with such bi-layer could bear harsh conditions such as soaking in water, light illumination at 70 % relative humidity, and the damp-thermal (85 °C and 30 % humidity) environment. The resulted PSCs deliver a champion efficiency up to 24.09 %, as well as remarkable environmental stability, e.g., retaining 78 % of their initial efficiency after 5500 h of shelf storage, and 82 % after 1000 h of operational stability testing.

关键词： Environmental Stability Hybrid Perovskite Lead Iodide Perovskite Solar Cells Surface Reconstruction

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Designing Polymer-in-Salt Electrolyte and Fully Infiltrated 3D Electrode for Integrated Solid-state Lithium Batteries

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Angewandte Chemie 2021年第23期133卷

作者： Wenyi Liu Chengjun Yi Linpo Li Shuailei Liu Qiuyue Gui Deliang Ba Prof. Yuanyuan Li Prof. Dongliang Peng Prof. Jinping Liu State Key Laboratory of Advanced Technology for Materials Synthesis and Processing and School of Chemistry Chemical Engineering and Life Science Wuhan University of Technology Wuhan Hubei 430070 P. R. China School of Optical and Electronic Information Huazhong University of Science and Technology Wuhan 430074 P. R. China State Key Lab of Physical Chemistry of Solid Surface Fujian Key Laboratory of Materials Genome Collaborative Innovation Center of Chemistry for Energy Materials College of Materials Xiamen University Xiamen 361005 P. R. China

Solid-state lithium batteries (SSLBs) are promising owing to enhanced safety and high energy density but plagued by the relatively low ionic conductivity of solid-state electrolytes and large electrolyte–electrode interfacial resistance. Herein, we design a poly(vinylidene fluoride-co-hexafluoropropylene) (PVDF-HFP)-based polymer-in-salt solid electrolyte (PISSE) with high room-temperature ionic conductivity (1.24×10 −4 S cm −1 ) and construct a model integrated TiO 2 /Li SSLB with 3D fully infiltration of solid electrolyte. With forming aggregated ion clusters, unique ionic channels are generated in the PISSE, providing much faster Li + transport than common polymer electrolytes. The integrated device achieves maximized interfacial contact and electrochemical and mechanical stability, with performance close to liquid electrolyte. A pouch cell made of 2 SSLB units in series shows high voltage plateau (3.7 V) and volumetric energy density comparable to many commercial thin-film batteries.

关键词： 3D electrolyte infiltration interfacial engineering nanostructured thin-film batteries polymer-in-salt electrolytes solid-state lithium batteries

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Micron-Sized Zeolite Beta Single Crystals Featuring Intracrystal Interconnected Ordered Macro-Meso-Microporosity Displaying Superior Catalytic Performance

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Angewandte Chemie 2020年第44期132卷

作者： Sun M.-H. Chen L.-H. Yu S. Li Y. Zhou X.-G. Hu Z.-Y. Sun Y.-H. Xu Y. Su B.-L. Laboratory of Living Materials at the State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology 122 Luoshi Road Wuhan 430070 China CMI (Laboratory of Inorganic Materials Chemistry) University of Namur 61 rue de Bruxelles Namur 5000 Belgium NRC (Nanostructure Research Centre) Wuhan University of Technology 122 Luoshi Road Wuhan 430070 China CAS Key Laboratory of Low-Carbon Conversion Science and Engineering at Shanghai Advanced Research Institute Chinese Academy of Science 99 Haike Road Shanghai 201210 China School of Physical Science and Technology Shanghai-Tech University 319 Yueyang Road Shanghai 200031 China State Key Laboratory of Inorganic Synthesis and Preparative Chemistry College of Chemistry Jilin University 2699 Qianjin Street Changchun 130012 China

Zeolite Beta single crystals with intracrystalline hierarchical porosity at macro-, meso-, and micro-length scales can effectively overcome the diffusion limitations in the conversion of bulky molecules. However, the construction of large zeolite Beta single crystals with such porosity is a challenge. We report herein the synthesis of hierarchically ordered macro-mesoporous single-crystalline zeolite Beta (OMMS-Beta) with a rare micron-scale crystal size by an in situ bottom-up confined zeolite crystallization strategy. The fully interconnected intracrystalline macro-meso-microporous hierarchy and the micron-sized single-crystalline nature of OMMS-Beta lead to improved accessibility to active sites and outstanding (hydro)thermal stability. Higher catalytic performances in gas-phase and liquid-phase acid-catalyzed reactions involving bulky molecules are obtained compared to commercial Beta and nanosized Beta zeolites. The strategy has been extended to the synthesis of other zeolitic materials, including ZSM-5, TS-1, and SAPO-34. © 2020 Wiley-VCH GmbH

关键词： alkylation cracking hierarchical zeolites intracrystalline porous hierarchy zeolite Beta

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Vacancy-Rich Ni(OH)2 Drives the Electrooxidation of Amino C−N Bonds to Nitrile C≡N Bonds

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Angewandte Chemie 2020年第39期132卷

作者： Wang W. Wang Y. Yang R. Wen Q. Liu Y. Jiang Z. Li H. Zhai T. State Key Laboratory of Material Processing and Die & Mould Technology School of Materials Science and Engineering Huazhong University of Science and Technology Wuhan Hubei 430074 China Shanghai Synchrotron Radiation Facility Zhangjiang National Lab Shanghai Advanced Research Institute Chinese Academy of Sciences Shanghai 201204 China

Electrochemical synthesis based on electrons as reagents provides a broad prospect for commodity chemical manufacturing. A direct one-step route for the electrooxidation of amino C−N bonds to nitrile C≡N bonds offers an alternative pathway for nitrile production. However, this route has not been fully explored with respect to either the chemical bond reforming process or the performance optimization. Proposed here is a model of vacancy-rich Ni(OH)2 atomic layers for studying the performance relationship with respect to structure. Theoretical calculations show the vacancy-induced local electropositive sites chemisorb the N atom with a lone pair of electrons and then attack the corresponding N(sp3)−H, thus accelerating amino C−N bond activation for dehydrogenation directly into the C≡N bond. Vacancy-rich nanosheets exhibit up to 96.5 % propionitrile selectivity at a moderate potential of 1.38 V. These findings can lead to a new pathway for facilitating catalytic reactions in the chemicals industry. © 2020 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim

关键词： amines electrochemistry nanostructures oxidation surface chemistry

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Fabrication of laminated TiB2-B4C/Cu-Ni composites by electroplating and spark plasma sintering

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Journal of materials Science & technology 2017年第10期33卷 1172-1176页

作者： Ziyi Wu Jinyong Zhang Taojie Shi Fan Zhang Liwen Lei Han Xiao Zhengyi Fu State Key Lab of Advanced Technology for Material Synthesis and Processing Wuhan University of Technology Wuhan 430070 China

We proposed a new method, electroplating followed by spark plasma sintering（SPS）, to fabricate laminated TiB2-B4 C/Cu-Ni composites with high strength and high toughness. It is found that a thin intermediate Cu layer can effectively enhance the strength of the interface between the ceramics and the metals, resulting in a high flexural strength and toughness of the laminated TiB2-B4 C composites simultaneously. A flexural strength and fracture toughness of 651 MPa and 11.6 MPam^（1/2） respectively,are achieved, an approximately 90% improvement over TiB2-B4 C bulk.

关键词： Laminated structure Electroplating Spark plasma sintering B4C ceramic

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