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SSRN 2024年

作者： Li, Xiang Tan, Shanshan Chen, Chunmei Zhang, Aixin Li, Weiwei Ke, Gui Zhen College of Textile Science and Engineering Wuhan Textile University Hubei Wuhan430073 China State Key Laboratory of New Textile Materials and Advanced Processing Technology Wuhan Textile University Hubei Wuhan430200 China

Aramid cord fabric is a novel polymer material with high strength, modulus, low thermal shrinkage, and good dimensional stability. It finds wide applications in marine development, oil exploration, transportation, special tires, and other fields. However, limited research has examined aramid cord fabrics' super-hydrophobic applications. Therefore, constructing a super-hydrophobic aramid cord fabric polymer material is necessary. This study utilized a simple surface sprinkling powder method to scatter titanium dioxide (TiO2) particles onto the rubber surface of aramid cord fabric. Through high-temperature and high-pressure processes, a TiO2/natural rubber (NR) polymer material with a superhydrophobic surface was created. The microstructure of the superhydrophobic surface was examined using scanning electron microscopy (SEM). Energy-dispersive X-ray spectroscopy (EDS) was employed for qualitative analysis of substances on the superhydrophobic surface. Fourier transform infrared spectroscopy was used to understand the nature of surface functional *** hydrophobicity and self-cleaning properties of the surface were evaluated using a contact angle meter and self-cleaning tests, respectively. Additionally, the mechanical durability of the superhydrophobic surface was tested through linear abrasion on sandpaper. The results indicated that increasing the TiO2 particle content enhanced both the hydrophobicity and mechanical durability of the TiO2/NR surface. When the TiO2 mass fraction reached 3%, the static contact angle (CA) of the TiO2/NR surface reached 160.1±3°, and the surface maintained its superhydrophobicity even after 150 abrasion cycles under a pressure of 2 kPa. Furthermore, the TiO2/NR superhydrophobic surface exhibited excellent self-cleaning properties. © 2024, The Authors. All rights reserved.

关键词： Titanium dioxide

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Amino-β-cyclodextrin derivatives with different chain lengths as chiral selectors for separation of dansyl amino acid enantiomers by capillary electrophoresis

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Journal of Chromatography A 2025年 1746卷 465781页

作者： Fu, Yuanyuan Jiang, Min Chen, Zilin School of Bioengineering and Health and State Key Laboratory of New Textile Materials & Advanced Processing Technologies Wuhan Textile University Wuhan430200 China School of Pharmaceutical Sciences Wuhan University Wuhan430071 China

To date, cyclodextrins (CDs) and their derivatives are recognized as highly effective chiral selectors in electrophoresis for enantiomer separation due to their numerous advantages. In this study, three amino-β-CD derivatives, including NH2-β-CD-5 (Mono-(6-(tetraethylenepentamine)-6-deoxy)-beta-Cyclodextrin), NH2-β-CD-3 (mono-(6-(diethylenetriamine)-6-deoxy)-β-Cyclodextrin), and NH2-β-CD-1 (6-Monodeoxy-6-monoamino-beta-cyclodextrine) with varying amino substituent chain lengths were employed as chiral selectors in capillary electrophoresis (CE) to examine their chiral selectivity in the separation of five dansylated amino acid enantiomers, namely Dns-DL-Val, Dns-DL-Leu, Dns-DL-Thr, Dns-DL-Phe, and Dns-DL-Ser, as the chain length of the substituent group significantly impacts separation performance. Among the three amino-β-CD derivatives, NH2-β-CD-5 exhibited superior performance by separating four dansylated amino acid enantiomers, whereas NH2-β-CD-3 and NH2-β-CD-1 separated only two and one enantiomers, respectively. Additionally, the effects of pH values, buffer concentrations, and concentrations of the chiral selectors on the separation of dansylated amino acid enantiomers were also investigated. Furthermore, the stability and reproducibility of the three amino-β-CD derivatives were evaluated, with the relative standard deviations (RSDs) of resolution all below 8.2 %. © 2025

关键词： Chain length

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理论揭示锂硫电池第二放电平台的主要液固相转换机制

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Science China materials 2024年第8期67卷 2683-2693页

作者：张洪毅薛红涛魏承东孙杰许健汤富领 School of Materials Science and Engineering Lanzhou University of TechnologyLanzhou 730050China State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metals Lanzhou University of TechnologyLanzhou 730050China

锂硫电池因其高理论能量密度、环境友好和低廉的成本而被认为是前景广阔的新型储能设备,但在放电后半程中缓慢的还原动力学严重阻碍其实际应用.虽然各种先进的正极材料改善了反应动力学,但硫还原反应(SRR)的复杂机理给提高锂硫电池性能... 详细信息

锂硫电池因其高理论能量密度、环境友好和低廉的成本而被认为是前景广阔的新型储能设备,但在放电后半程中缓慢的还原动力学严重阻碍其实际应用.虽然各种先进的正极材料改善了反应动力学,但硫还原反应(SRR)的复杂机理给提高锂硫电池性能设下许多障碍.深入研究其电催化机理是指导阴极材料设计和应用的重要环节.本文将揭示从Li_(2)S_(3);向Li_(2)_(S))(2)/Li_(2)_(S)的转化机制,即揭示从液相多硫化物到固相多硫化物的硫还原反应.以Ti、V、Fe、Co和Ni单原子催化剂为正极催化材料,建立基于密度泛函理论计算的电催化模型.中间产物^(*)LiS、^(*)LiS_(2)被用作预测反应路径、速率决定步骤和过电位的描述因子.这项工作解释了放电后期可溶多硫化物向不溶多硫化物的转化机理,为设计先进的高性能锂硫电池电催化剂提供了指导.

关键词：锂硫电池电催化剂阴极材料储能设备正极材料多硫化物电催化机理密度泛函理论计算

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Engineered nitrogen doping on VO_(2)(B)enables fast and reversible zinc-ion storage capability for aqueous zinc-ion batteries

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Journal of Energy Chemistry 2023年第10期85卷 30-38,I0003页

作者： Xin Gu Juntao Wang Xiaobin Zhao Xin Jin Yuzhe Jiang Pengcheng Dai Nana Wang Zhongchao Bai Mengdi Zhang Mingbo Wu College of New Energy State Key Laboratory of Heavy Oil ProcessingChina University of Petroleum(East China)Qingdao 266580ShandongChina Institute for Superconducting and Electronic Materials Australian Institute for Innovative MaterialsUniversity of Wollongong Innovation CampusNorth WollongongNew South Wales 2500Australia Institute of Energy Materials Science(IEMS) University of Shanghai for Science and TechnologyShanghai 200093China

Vanadium-based compounds with high theoretical capacities and relatively stable crystal structures are potential cathodes for aqueous zinc-ion batteries(AZIBs).Nevertheless,their low electronic conductivity and sluggish zinc-ion diffusion kinetics in the crystal lattice are greatly obstructing their practical ***,a general and simple nitrogen doping strategy is proposed to construct nitrogen-doped VO_(2)(B)nanobelts(denoted as VO_(2)-N)by the ammonia heat *** with pure VO_(2)(B),VO_(2)-N shows an expanded lattice,reduced grain size,and disordered structure,which facilitates ion transport,provides additional ion storage sites,and improves structural durability,thus presenting much-enhanced zinc-ion storage *** functional theory calculations demonstrate that nitrogen doping in VO_(2)(B)improves its electronic properties and reduces the zinc-ion diffusion *** optimal VO_(2)-N400 electrode exhibits a high specific capacity of 373.7 mA h g^(-1)after 100 cycles at 0.1 A g^(-1)and stable cycling performance after 2000 cycles at 5 A g^(-1).The zinc-ion storage mechanism of VO_(2)-N is identified as a typical intercalation/de-intercalation process.

关键词： Vanadium dioxide Nitrogen doping Cathode materials Aqueous zinc-ion batteries

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Exfoliation Corrosion of As‑Extruded Mg–1Li–1Ca:the Influence of the Superficial Layer

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Acta Metallurgica Sinica(English Letters) 2024年第8期37卷 1339-1353页

作者： Ze‑Song Wei Zi‑You Ding Lei Cai Shao‑Xia Ma Dong‑Qing Zhao Lan‑Yue Cui Cheng‑Bao Liu Yuan‑Sheng Yang Yuan‑Ding Huang Rong‑Chang Zeng Corrosion Laboratory for Light Metals College of Materials Science and EngineeringShandong University of Science and TechnologyQingdao 266590China Engineering Research Center for Magnesium‑Based New Materials Center for Advancing Materials Performance from the Nanoscale(CAMP‑Nano)State Key Laboratory for Mechanical Behavior of MaterialsXi’an Jiaotong UniversityXi’an 710049China Shandong Provincial Key Laboratory of High Strength Lightweight Metallic Materials Advanced Materials InstituteQilu University of Technology(Shandong Academy of Sciences)Jinan 250014China Institute of Metals Research Chinese Academy of SciencesShenyang 110016China Institute of Metallic Biomaterials Helmholtz-Zentrum HereonMax‑Planck‑Str.121502 GeesthachtGermany

Exfoliation corrosion(EFC)has rarely been reported for wrought magnesium *** EFC of the as-extruded Mg–1Li–1Ca alloy was observed after the removal of outermost fine-grained *** microstructure and corrosion products were investigated using optical microscopy,scanning electron microscopy,electron backscattered diffraction,X-ray diffraction,and Fourier transform infrared *** corrosion behavior was analyzed using electrochemical polarization,electrochemical impedance spectroscopy,and scanning Kelvin probe *** results indicated that the surface of Mg–1Li–1Ca,with the superficial layer removed,was more susceptible to EFC.A linear correlation between grain boundary density and corrosion resistance was ***,the influence of factors such as grain size,intermetallic compounds,different alloy surfaces,and corrosion products on EFC were discussed,and the corresponding EFC mechanism was clarified.

关键词： Magnesium alloys Exfoliation corrosion Microstructure Intermetallic compound Metamorphic skin

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Niobium oxyphosphate nanosheet assembled two-dimensional anode material for enhanced lithium storage

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Journal of Energy Chemistry 2021年第2期30卷 268-275,I0009页

作者： Bo Wen Ruiting Guo Xiong Liu Wen Luo Qiu He Chaojiang Niu Jiashen Meng Qi Li Yan Zhao Liqiang Mai State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070HubeiChina State Key Laboratory of Silicate Materials for Architectures Wuhan University of TechnologyWuhan 430070HubeiChina Foshan Xianhu Laboratory of the Advanced Energy Science and Technology Guangdong Laboratory Foshan 528216GuangdongChina

The development of high-capacity and high-rate anodes has become an attractive endeavor for achieving high energy and power densities in lithium-ion batteries(LIBs).Herein,a new-type anode material of reduced graphene oxide(rGO) supported niobium oxyphosphate(NbOPO_4) nanosheet assembled twodimensional composite material(NbOPO_4/rGO) is firstly fabricated and presented as a promising highperformance LIB anode ***-depth electrochemical analyses and in/ex situ characterizations reveal that the intercalation-conversion reaction takes place during the first discharge process,followed by the reversible redox process between amorphous NbPO_4 and Nb which contributes to the reversible capacity in the subsequent ***,the lithiation-generated Li3 PO_4,behaving as a good lithium ion conductor,facilitates ion *** rGO support further regulates the structural and electron/ion transfer properties of NbOPO_4/rGO composite compared to neat NbOPO_4, resulting in greatly enhanced electrochemical *** a result,NbOPO_4/rGO as a new-type LIB anode material achieves a high capacity of 502.5 mAh g^(-1) after 800 cycles and outstanding rate capability of 308.4 mAh g^(-1) at 8 A g^(-1).This work paves the way for the deep understanding and exploration of phosphate-ba sed high-efficiency anode materials for LIBs.

关键词： 2D nanomaterials Niobium oxyphosphate High-rate anode Lithium storage mechanism Lithiation-induced amorphization

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Biphase-to-monophase structure evolution of Na_(0.766+x)Li_(x)Ni_(0.33-x)Mn_(0.5)Fe_(0.1)Ti_(0.07)O_(2) toward ultradurable Na-ion batteries

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Carbon Energy 2024年第9期6卷 66-79页

作者： Mengting Liu Zhiwei Cheng Xu Zhu Haojie Dong Tianran Yan Liang Zhang Lu Zheng Hu-Rong Yao Xian-Zuo Wang Lianzheng Yu Bing Xiao Yao Xiao Peng-Fei Wang State Key Laboratory of Electrical Insulation and Power Equipment School of Electrical EngineeringCenter of Nanomaterials for Renewable EnergyXi'an Jiaotong UniversityXi'anShaanxiChina Jiangsu Key Laboratory of Advanced Negative Carbon Technologies Institute of Functional Nano&Soft Materials(FUNSOM)Soochow UniversitySuzhouJiangsuChina Fujian Provincial Key Laboratory of Quantum Manipulation and New Energy Materials College of Physics and EnergyFujian Normal UniversityFuzhouFujianChina Wenzhou Key Laboratory of Sodium-Ion Batteries Institute for Carbon NeutralizationWenzhou University Technology InnovationWenzhouZhejiangChina

Layered composite oxide materials with O3/P2 biphasic crystallographic structure typically demonstrate a combination of high capacities of the O3 phase and high operation voltages of the P2 ***,their practical applications are seriously obstructed by difficulties in thermodynamic phase regulation,complicated electrochemical phase transition,and unsatisfactory cycling ***,we propose an efficient structural evolution strategy from biphase to monophase of Na_(0.766+x)Li_(x)Ni_(0.33-x)Mn_(0.5)Fe_(0.1)Ti_(0.07)O_(2) through Li+*** role of Li+substitution not only simplifies the unfavorable phase transition by altering the local coordination of transition metal(TM)cations but also stabilizes the cathode–electrolyte interphase to prevent the degradation of TM cations during battery *** a result,the thermodynamically robust O_(3)-Na_(0.826)Li_(0.06)Ni_(0.27)Mn_(0.5)Fe_(0.1)Ti_(0.07)O_(2) cathode delivers a high capacity of 139.4 mAh g^(-1) at 0.1 C and shows prolonged cycling life at high rates,with capacity retention of 81.6%at 5 C over 500 *** work establishes a solid relationship between the thermodynamic structure evolution and electrochemistry of layered cathode materials,contributing to the development of long-life sodium-ion batteries.

关键词： electrochemistry Li+substitution Na-ion batteries O_(3)phase phase transition

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High energy storage density in NaNbO_(3) antiferroelectrics with double hysteresis loop

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Journal of Materiomics 2024年第5期10卷 1026-1035页

作者： Li Ma Zhenpei Chen Gengguang Luo Zhiyi Che Chao Xu Dongliang Shan Zhenyong Cen Qin Feng Xiyong Chen Toyohisa Fujita Ye Zhu Yunya Liu Jing-Feng Li Shujun Zhang Nengneng Luo State Key Laboratory of Featured Metal Materials and Life-cycle Safety for Composite Structures School of ResourcesEnvironment and MaterialsGuangxi UniversityNanning530004China School of Chemistry and Chemical Engineering Guangxi UniversityNanning530004China Department of Applied Physics Research Institute for Smart EnergyThe Hong Kong Polytechnic UniversityHung HomKowloonHong KongChina Key Laboratory of Low Dimensional Materials and Application Technology of Ministry of Education School of Materials Science and EngineeringXiangtan UniversityXiangtan411105HunanChina State Key Laboratory of New Ceramics and Fine Processing School of Materials Science and EngineeringTsinghua UniversityBeijing100084China Institute for Superconducting and Electronic Materials Australian Institute of Innovative MaterialsUniversity of WollongongWollongongNSW2500Australia

Antiferroelectrics(AFEs)possess great potential for high performance dielectric capacitors,due to their distinct double hysteresis loop with high maximum polarization and low remnant ***,the well-known NaNbO_(3) lead-free antiferroelectric(AFE)ceramic usually exhibits square-like P–E loop related to the irreversible AFE P phase to ferroelectric(FE)Q phase transition,yielding low recoverable energy storage density(Wrec).Herein,significantly improved Wrec up to 3.3 J/cm^(3) with good energy storage efficiency(η)of 42.4% was achieved in Na_(0.7)Ag_(0.3)Nb_(0.7)Ta_(0.3)O_(3)(30Agsingle bond30Ta)ceramic with well-defined double P–E loop,by tailoring the A-site electronegativity with Ag+and B-site polarizability with Ta^(5+).The Transmission Electron Microscope,Piezoresponse Force Microscope and in-situ Raman spectra results verified a good reversibility between AFE P phase and high-field-induced FE Q *** improved stability of AFE P phase,being responsible for the double P–E loop and improved Wrec,was attributed to the decreased octahedral tilting angles and cation *** mechanism was revealed by synchrotron X-ray diffraction and Scanning Transmission Electron *** work provides a good paradigm for achieving double P–E loop and high energy storage density in NaNbO_(3)-based ceramics.

关键词： Sodium niobate Antiferroelectrics Double hysteresis loop Energy storage performance Reversibility

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Modulation effect in adjacent dual metal single atom catalysts for electrochemical nitrogen reduction reaction

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Chinese Chemical Letters 2022年第3期33卷 1455-1458页

作者： Xiaonan Zheng Yang Liu Yu Yan Xiaoxiao Li Yuan Yao MIIT Key Laboratory of Critical Materials Technology for New Energy Conversion and Storage&State Key Laboratory of Advanced Welding and Joining School of Chemistry and Chemical EngineeringHarbin Institute of TechnologyHarbin 150080China

Nitrogen reduction reaction (NRR) is a clean mode of energy conversion and the development of highly efficient NRR electrocatalysts under ambient conditions for industrial application is still a big challenge. Metal-nitrogen-carbon (M-N-C) has emerged as a class of single atom catalyst due to the unique geometric structure, high catalytic activity, and clear selectivity. Herein, we designed a series of dual metal single atom catalysts containing adjacent M-N-C dual active centers (MN_(4)/M'N_(4)-C) as NRR electrocatalysts to uncover the structure-activity relationship. By evaluating structural stability, catalytic activity, and selectivity using density functional theory (DFT) calculations, 5 catalysts, such as CrN_(4)/M'N_(4)-C (M’ = Cr, Mn, Fe, Cu and Zn), were determined to exhibit the best NRR catalytic performance with the limiting potential ranging from -0.64 V to -0.62 V. The CrN_(4) center acted as the main catalytic site and the adjacent M'N_(4) center could enhance the NRR catalytic activity by modulation effect based on the analysis of the electronic properties including the charge density difference, partial density of states (PDOS), and Bader charge variation. This study offers useful insights on understanding the structure-activity relationship of dual metal single atom catalysts for electrochemical NRR.

关键词： Nitrogen reduction reaction Electrocatalysts Density functional theory Dual metal single atom catalysts Modulation effect

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Machine learning in energy storage materials

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Interdisciplinary materials 2022年第2期1卷 175-195页

作者： Zhong-Hui Shen Han-Xing Liu Yang Shen Jia-Mian Hu Long-Qing Chen Ce-Wen Nan State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Center of Smart Materials and DevicesWuhan University of TechnologyWuhanChina International School of Materials Science and Engineering Wuhan University of TechnologyWuhanChina State Key Lab of New Ceramics and Fine Processing School of Materials Science and EngineeringTsinghua UniversityBeijingChina Department of Materials Science and Engineering University of Wisconsin-MadisonMadisonWisconsinUSA Department of Materials Science and Engineering The Pennsylvania State UniversityUniversity ParkPennsylvaniaUSA

With its extremely strong capability of data analysis,machine learning has shown versatile potential in the revolution of the materials research ***,taking dielectric capacitors and lithium‐ion batteries as two representa-tive examples,we review substantial advances of machine learning in the research and development of energy storage ***,a thorough discussion of the machine learning framework in materials science is ***,we summarize the applications of machine learning from three aspects,including discovering and designing novel materials,enriching theoretical simulations,and assisting experimentation and ***,a brief outlook is highlighted to spark more insights on the innovative implementation of machine learning in materials science.

关键词： dielectric capacitor energy storage lithiumion battery machine learning

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