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arXiv 2024年

作者： Thong, Hao-Cheng Yao, Fang-Zhou Cai, Xian-Xian Xu, Ze Zhang, Mao-Hua Zhang, Huazhang Xu, Ben Wei, Yan Wang, Shi-Dong Wang, Ke State Key Laboratory of New Ceramics and Fine Processing School of Materials Science and Engineering Tsinghua University Beijing100084 China Research Center for Advanced Functional Ceramics Wuzhen Laboratory Jiaxing314500 China School of Physics and Mechanics Wuhan University of Technology Wuhan430070 China Graduate School China Academy of Engineering Physics Beijing100193 China Department of Geriatric Dentistry NMPA Key Laboratory for Dental Materials National Engineering Laboratory for Digital and Material Technology of Stomatology Peking University School Hospital of Stomatology Beijing100081 China Musculoskeletal Tumor Center Peking University People’s Hospital Beijing100044 China

The functionality of ferroelectrics is often constrained by their Curie temperature, above which depolarization occurs. Lithium (Li) is the only experimentally known substitute that can increase the Curie temperature in ferroelectric niobate-based perovskites, yet the mechanism remains unresolved. Here, the unique phenomenon in Li-substituted KNbO3 is investigated using first-principles density functional theory. Theoretical calculations show that Li substitution at the A-site of perovskite introduces compressive chemical pressure, reducing Nb–O hybridization and associated ferroelectric instability. However, the large off-center displacement of the Li cation compensates for this reduction and further enhances the soft polar mode, thereby raising the Curie temperature. In addition, the stability of the tetragonal phase over the orthorhombic phase is predicted upon Li substitution, which reasonably explains the experimental observation of a decreased orthorhombic-to-tetragonal phase transition temperature. Finally, a metastable anti-phase polar state in which the Li cation displaces oppositely to the Nb cation is revealed, which could also contribute to the variation of phase transition temperatures. These findings provide critical insights into the atomic-scale mechanisms governing Curie temperature enhancement in ferroelectrics and pave the way for designing advanced ferroelectric materials with improved thermal stability and functional performance. © 2024, CC BY.

关键词： Perovskite

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Ultra-small hollow ternary alloy nanoparticles for efficient hydrogen evolution reaction

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National Science Review 2021年第7期8卷 185-197页

作者： Zhenxing Li Chengcheng Yu Yikun Kang Xin Zhang Yangyang Wen Zhao-Kui Wang Chang Ma Cong Wang Kaiwen Wang Xianlin Qu Miao He Ya-Wen Zhang Weiyu Song State Key Laboratory of Heavy Oil Processing College of New Energy and Materials Beijing Key Laboratory of Biogas Upgrading Utilization China University of Petroleum (Beijing) College of Science China University of Petroleum (Beijing) Jiangsu Key Laboratory for Carbon-Based Functional Materials and Devices Institute of Functional Nano and Soft Materials (FUNSOM) Soochow University Beijing Key Laboratory and Institute of Microstructure and Property of Advanced Materials Beijing University of Technology Beijing National Laboratory for Molecular Sciences State Key Laboratory of Rare Earth Materials Chemistry and Applications PKU–HKU Joint Laboratory in Rare Earth Materials and Bioinorganic Chemistry College of Chemistry and Molecular Engineering Peking University

Hollow nanoparticles with large specific surface area and high atom utilization are promising catalysts for the hydrogen evolution reaction（HER）. We describe herein the design and synthesis of a series of ultra-small hollow ternary alloy nanostructures using a simple one-pot strategy. The same technique was demonstrated for hollow PtNiCu nanoparticles, hollow PtCoCu nanoparticles and hollow CuNiCo nanoparticles. During synthesis, the displacement reaction and oxidative etching played important roles in the formation of hollow structures. Moreover, our hollow PtNiCu and PtCoCu nanoparticles were single crystalline, with an average diameter of 5 nm. Impressively, ultra-small hollow PtNiCu nanoparticles,containing only 10% Pt, exhibited greater electrocatalytic HER activity and stability than a commercial Pt/C catalyst. The overpotential of hollow Pt Ni Cu nanoparticles at 10 mA cm-2was 28 mV versus reversible hydrogen electrode（RHE）. The mass activity was 4.54 A mg Pt-1at-70 mV versus RHE, which is 5.62-fold greater than that of a commercial Pt/C system(0.81 A mg Pt-1). Through analyses of bonding and antibonding orbital filling, density functional theory calculations demonstrated that the bonding strength of different metals to the hydrogen intermediate（H*） was in the order of Pt > Co > Ni > Cu. The excellent HER performance of our hollow PtNiCu nanoparticles derives from moderately synergistic interactions between the three metals and H*. This work demonstrates a new strategy for the design of low-cost and high-activity HER catalysts.

关键词： ultra-small hollow nanostructure hydrogen evolution reaction density functional theory

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In-situ synthesis of flexible aramid nanofiber@CsPbBr3 coaxial fiber-based paper for effective X-ray shielding

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Nano Today 2025年 64卷

作者： Guo, Zizhan Lu, Zhaoqing Zhang, Jingru Jiang, Ming Peng, Guoqiang Hua, Li Dong, Jiayue Jia, Fengfeng Xia, Zhigang Jin, Zhiwen College of Bioresources Chemical and Materials Engineering Shaanxi University of Science & Technology No. 6 Xuefu Road Xi'an710021 China Qilu University of Technology Jinan250000 China Tayho Advanced Materials Group Co. Ltd. Yantai264000 China School of Physical Science and Technology & Lanzhou Center for Theoretical Physics Key Laboratory of Theoretical Physics of Gansu Province and Key Laboratory of Quantum Theory and Applications of MoE Lanzhou University Gansu Lanzhou730000 China State Key Laboratory of New Textile Materials and Advanced Processing Technologies & School of Textile Science and Engineering & Textile Industry Key Laboratory of Yarn and Its Functionalization & Industry Research and Development Center of Functional Materials and New Textile Technology Wuhan Textile University Wuhan430200 China

Flexible X-ray shielding materials feature better adaptability and dexterity than traditional rigid shielding materials. The effective enhancement of the comprehensive properties of flexible X-ray shielding materials lies in boosting the loading of X-ray absorbing filler while ensuring the retention of their favorable mechanical strength. Here, we designed a Chinese stone arch bridge-like coaxial structure to increase the loading of X-ray absorbing filler CsPbBr3 in aramid nanofiber (ANF) based composites. The robust and flexible ANF@CsPbBr3 coaxial fibers were fabricated via coaxial wet-spinning method. The CsPbBr3 core were rapid in situ crystallized within ANF shell, which achieves the thrilling load capacity for CsPbBr3 in the material and provides protection against CsPbBr3 leakage and intrusion of outside moisture, ensuring outstanding X-ray shielding performances. The Chinese stone arch bridge-like structure obtained during spinning effectively prevented collapse of the coaxial fiber shell. Moreover, the ANF@CsPbBr3 coaxial fibers have excellent flexibility to fabricate an X-ray shielding paper through conventional papermaking process. It also had robust tensile stress (11.8 MPa), lightweight (1.01 g/cm3), excellent X-ray attenuation efficiency (exceed ∼93 % in the 20–70 kV range), and weakened secondary radiation. These findings indicate that the ANF@CsPbBr3 coaxial fiber have a promising potential for developing X-ray shielding materials. © 2025 Elsevier Ltd

关键词： Spinning (fibers)

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Dissolution and recrystallization of perovskite induced by N-methyl-2-pyrrolidone in a closed steam annealing method

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Journal of Energy Chemistry 2019年第3期28卷 78-83页

作者： Lili Zhi Yanqing Li Xiaobing Cao Yahui Li Xian Cui Lijie Ci Jinquan Wei SDU & Rice Joint Center for Carbon Nanomaterials Key Laboratory for Liquid-Solid Structural Evolution & Processing of Materials (Ministry of Education)School of Materials Science and Engineering Shandong University Department of Physics Changji College State Key Laboratory of Crystal Materials Shandong University State Key Lab of New Ceramic and Fine Processing Education Ministry Key Laboratory for Advanced Materials Processing Technology School of Materials Science and Engineering Tsinghua University

High quality perovskite films with large columnar grains are greatly desired for efficient perovskite solar cells. Here, low volatility N-methyl-2-pyrrolidone(NMP) was added in MAI/IPA solution in a two-step spin-coating method, which promoted the conversion of lead iodide to perovskite. The perovskite films were annealed by a closed-steam annealing method to prolong the recrystallization process of perovskite films assisted by the residual NMP. It leaded to high quality CH_3NH_3PbI_3 perovskite films with large columnar grains due to its enhancement of the Oswald ripening. The large grain perovskite film leaded to efficient carrier transformation and injection, and low recombination. The photovoltaic performance of the perovskite solar cells was improved significantly.

关键词： Perovskite solar cell N-Methyl-2-pyrrolidone (NMP) Dissolution and recrystallization Closed-steam annealing Oswald ripening

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Shape memory performance and damage mechanism of three-dimensional knitted tubular composites improved with helical yarns

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Thin-Walled Structures 2025年 215卷

作者： Ziyan Niu Ying Huang Yang Liu Haipeng Ren Weilin Xu Wei Zhao State Key Laboratory of New Textile Materials and Advanced Processing Wuhan Textile University Wuhan 430200 China School of Fashion & Textiles The Hong Kong Polytechnic University Hong Kong China Department of Astronautical Science and Mechanics Harbin Institute of Technology Harbin 150001 China

Three-dimensional (3D) continuous fibers reinforced tubular shape memory polymer composites (SMPCs) have potential advantages of lightweight, high strength and excellent spatial folding efficiency, but they have limited shape-recovery performance after large deformation. In this work, 3D tubular knitted fabric reinforced SMPCs with single and double helical yarns were developed. The effects of the knitting density, compressive strain and helical yarns on shape memory properties of SMPCs were systematically investigated. The results show that SMPCs with smaller knitting density, compressive strain and helical pitch have larger shape recovery speed. At 40 % compressive strain, the shape recovery force of SMPC with double helical yarns improves 4.0 times than that of SMEP and 3.1 times than that of SMPC without helical yarns. The introduction of helical yarns in SMPC can obviously improve shape recovery performance. The viscoelastic finite element models for simulating the free shape recovery behaviors of SMPCs without and with helical yarns were established. The shape recovery mechanism and stress distribution of 3D tubular knitted SMPCs are analyzed. The compressive damage mechanism of 3D tubular knitted SMPC is revealed. The concept of residual compressive properties after multiple shape memory cycles is introduced to evaluate the mechanical durability of SMPCs. The 3D tubular knitted fabric reinforced SMPCs with helical yarns show good mechanical durability at the compressive strain from 40 % to 90 % and in 10 shape memory cycles. The tubular knitted fabric-reinforced SMPCs can obtain a volume saving of above 84 % after temporary shape-deforming, which contributes to the development of space-deployable structures.

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Directional fabrication of an ultra-light and porous bacterial nanocellulose/MXene composite aerogel for efficient thermal management

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International Journal of Biological Macromolecules 2025年第Pt 4期311卷 144054页

作者： Li, Siqi Luo, Lei Hasan, Md. Zahid Shi, Naman Liu, Qimin Li, Daiqi Yue, Chengfei Zhang, Ruquan Sha, Sha Zhu, Jiadeng State Key Laboratory of New Textile Materials and Advanced Processing Technology School of Textile Science and Engineering Wuhan Textile University Wuhan430200 China Institute of Design Innovation and Fiber Science Wuhan Textile University Wuhan430073 China Smart Devices Brewer Science Inc. SpringfieldMO65806 United States

Global warming has intensified extreme weather events, necessitating advanced thermal management systems to protect human health. Due to its unique properties of increasing phonon scattering at interlayer interfaces and wide spectral absorption, MXene has great potential in thermal management. However, the self-stacking tendency of MXene caused by hydrogen bonding and van der Waals force limits its further application. Herein, we have successfully fabricated an ultra-light (0.011 g cm−3) three-dimensional (3D) bacterial nanocellulose (BNC)/MXene aerogel (BM) through directional freezing. The BNC serves as scaffolds, offering a porous structure with ultra-low thermal conductivity (0.038 W m−1 K−1), high porosity (99.33 %), and excellent insulation (ΔT of 164 at 200 °C). Additionally, the BM aerogel shows remarkable photo-thermal conversion efficiency (98 % solar absorption, 0.25–2.5 μm), quick thermal response (88 °C in 10 s), and thermal stability (89 °C sustained after 120 min). These multifunctional properties make the BM aerogel a potential candidate for advanced thermal management in response to global climate challenges. © 2025 Elsevier B.V.

关键词： Van der Waals forces

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Addendum: Solution epitaxy of polarization-gradient ferroelectric oxide films with colossal photovoltaic current

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Nature communications 2024年第1期15卷 3878-3878页

作者： Lin, Chen Zhang, Zijun Dai, Zhenbang Wu, Mengjiao Liu, Shi Chen, Jialu Hua, Chenqiang Lu, Yunhao Zhang, Fei Lou, Hongbo Dong, Hongliang Zeng, Qiaoshi Ma, Jing Pi, Xiaodong Zhou, Dikui Wu, Yongjun Tian, He Rappe, Andrew M. Ren, Zhaohui Han, Gaorong State Key Laboratory of Silicon and Advanced Semiconductor Materials School of Materials Science and Engineering Zhejiang University Hangzhou 310027 China Center of Electron Microscope School of Materials Science and Engineering Zhejiang University Hangzhou 310027 China Department of Chemistry University of Pennsylvania Philadelphia PA United States Oden Institute for Computational Engineering and Sciences University of Texas at Austin Austin 78712 TX United States Key Laboratory for Quantum Materials of Zhejiang Province Department of Physics School of Science Westlake University Hangzhou 310024 China Zhejiang Province Key Laboratory of Quantum Technology and Device Department of physics Zhejiang University Hangzhou 310027 China Center for High Pressure Science and Technology Advanced Research 201203 Shanghai China State Key Lab of New Ceramics and Fine Processing School of Materials Science and Engineering Tsinghua University 100091 Beijing China Institute of Advanced Semiconductors & Zhejiang Provincial Key Laboratory of Power Semiconductor Materials and Devices ZJU-Hangzhou Global Scientific and Technological Innovation Center Zhejiang University Hangzhou 311215 China Research Center for Intelligent Sensing Zhejiang Lab Hangzhou 311100 China State Key Laboratory of Silicon and Advanced Semiconductor Materials School of Materials Science and Engineering Zhejiang University Hangzhou 310027 China

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Preparation of Poly(1,3-Dioxolane)/Carbonate Ester Based Gelling Polymer Electrolyte with 0.9m LiPF6 as the Main Lithium Salt

SSRN

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SSRN 2024年

作者： Yang, Xueting Chen, Hanghang Ye, Dezhan Chen, Yazhou Jiang, Xiancai Yang, Yingcheng Liu, Zengjin State Key Laboratory of New Textile Materials and Advanced Processing Technologies Wuhan Textile University No.1 Yangguang Avenue Jiangxia District Hubei Wuhan430200 China School of Materials Science and Engineering Wuhan Textile University No.1 Yangguang Avenue Jiangxia District Hubei Wuhan430200 China School of Chemical Engineering Fuzhou University Fuzhou350108 China Experimental Medicine Center The Affiliated Hospital of Southwest Medical University Sichuan Luzhou China Drug Research Center of Integrated Traditional Chinese and Western Medicine Affiliated Traditional Chinese Medicine Hospital of Southwest Medical University No.182 Chunhui Road Longmatan District Sichuan Province Luzhou City646000 China

1,3-dioxolane (DOL) shows low interfacial impedance and high Coulombic efficiency, thus its polymer electrolytes have attracted extensive attention. However, LiTFSI is still dominantly used in DOL electrolyte due to its low dielectric constant. Totally replacement of LiTFSI with low cost of LiPF6 could bring the heat explosion and high viscosity when mixing DOL with 0.9M LiPF6 electrolyte (carbonate ester solvent). Therefore, a new type of Lewis base, pyridine, is added into DOL to prepare in-situ gelling polymer electrolytes (GPEs). It is demonstrated that monomer conversion and electrochemical window stability is inversely related with the pyridine addition, which are up to 85.2% and 4.5V, respectively. The optimized conductivity and transfer number are 0.99x10-3 S/cm (25 oC) and 0.68, respectively. The stable interface between PDOL and lithium metal anode could be proved by the stable over-potential (50mv, 700 hours) at current density of 0.5 mA cm−2. After 500 cycles at 2 C, the assembled Li/PDOL@py0.125/LiFePO4 battery delivers 115 mAh/g and 90% capacity retention, with high average Coulombic efficiency of 99.83%. The present results demonstrate the heat suppression role of pyridine toward mixing DOL with 0.9M LiPF6 electrolyte, which solves the heat and viscosity problems for PDOL based gelling polymer electrolytes. © 2024, The Authors. All rights reserved.

关键词： Lithium compounds

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LiBH4 for hydrogen storage-new perspectives

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Nano materials Science 2020年第2期2卷 109-119页

作者： Zhao Ding Shaoyuan Li Yang Zhou Zhiqian Chen Weijie Yang Wenhui Ma Leon Shaw Department of Mechanical Materials and Aerospace EngineeringIllinois Institute of TechnologyChicagoIL60616USA Faculty of Metallurgical and Energy Engineering Kunming University of Science and TechnologyKunming650091China School of Photovoltaic and Renewable Energy Engineering University of New South WalesSydneyNSW2052Australia School of Textile Science and Engineering State Key Laboratory of New Textile Materials and Advanced Processing TechnologyWuhan Textile UniversityWuhan430200China Department of Computer Science Virginia TechFalls ChurchVA22043USA School of Energy and Power Engineering North China Electric Power UniversityBaoding071003China

Hydrogen energy has been recognized as“Ultimate Power Source”in the 21st *** is a boon in these days of energy crunches and concerns about climate change because of the characterized advantages,such as high energy density,large calorific value,abundant resource,zero pollution,zero carbon emission,storable and ***-of-the-art perspectives on tuning the stable thermodynamics and sluggish kinetics of dehydrogenation and re-hydrogenation of LiBH4,which has been regarded as a promising hydrogen storage alternative for onboard energy carrier applications have been *** major technological approaches are involved,including nanoengineering,catalyst modification,ions substitution,reactant destabilization and a novel process termed as high-energy ball milling with in-situ aerosol spraying(BMAS).It is worth noting that BMAS has the potential to help overcome the kinetic barriers for thermodynamically favorable systems like LiBH4 t MgH2 mixture and provide thermodynamic driving force to enhance hydrogen release at a lower temperature.

关键词： Hydrogen storage materials LiBH4 Nanoengineering MgH2 BMAS

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Aluminum introduced to the anion framework of cobalt silicate compositing with reduced graphene oxide showing improved electrochemical performances for hybrid supercapacitor

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Journal of Power Sources 2025年 648卷

作者： Liu, Yuxuan Zhang, Yifu Gao, Zhanming Tan, Xianfang Lv, Tianming Wang, Yang Chen, Dongzhi Cui, Miao Hu, Tao Meng, Changgong School of Chemistry Dalian University of Technology Dalian116024 China Hubei Key Laboratory of Radiation Chemistry and Functional Materials School of Nuclear Technology and Chemistry & Biology Hubei University of Science and Technology Xianning437100 China State Key Laboratory of New Textile Materials & Advanced Processing Technology Wuhan Textile University Wuhan430073 China College of Environmental and Chemical Engineering Dalian University Dalian116622 China

Transition metal silicates (TMSs) are frequently utilized as supercapacitor electrode materials because of their great thermal stability, plentiful reserves, and controlled structure. However, improving the conductivity of silicate materials is still the research goal. In order to create an effective carbon composite strategy, the sandwich structure of TMSs/carbon materials/TMSs is built in this article. Additionally, the Al element is included to enhance the electrochemical performance of silicate materials. This study describes the preparation of an aluminum-doped cobalt silicate/reduced graphene oxide/aluminum-doped cobalt silicate sandwich-like structure (Al-doped Co2SiO4/rGO/Al-doped Co2SiO4, denoted as rGO/ACS), applying a straightforward hydrothermal process with aluminum-doped silica/GO/aluminum-doped silica (Al-doped SiO2/GO/Al-doped SiO2, denoted as GO/Al-SiO2) as the template. At 1 A g−1, the specific capacity of rGO/ACS can reach 573 F g−1, which is 10 times that of CS (Co2SiO4, 57 F g−1) and 1.6 times that of rGO/CS (Co2SiO4/rGO/Co2SiO4, 362 F g−1). After 10,000 cycles, the capacitance retention of rGO/ACS is still 91 %, whose electrochemical performance is far superior to other silicon-based materials. In addition to having a surface capacitance of 763 mF cm−2 at 1 mA cm−2 with 81 % cycle performance after 8000 cycles, the rGO/ACS//AC hybrid supercapacitor performs exceptionally well electrochemically. This work demonstrates how the creation of Al-introduced TMSs/carbon materials/Al-introduced TMSs sandwich structure enhances the performance of silicate materials by combining the benefits of carbon composite and metal introduction, and it offers an option to further boost the conductivity of silicate. © 2025 Elsevier B.V.

关键词： Carbon carbon composites

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