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Restraining migration and dissolution of transition-metal-ions via functionalized separator for Li-rich Mn-based cathode with high-energy-density

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Journal of Energy Chemistry 2023年第9期84卷 11-21页

作者： Zhi Li Bao Zhang Gangyong Li Shuang Cao Changmeng Guo Heng Li Ruijuan Wang Jiarui Chen Lei Wu Jiajia Huang Yansong Bai Xianyou Wang National Base for International Science&Technology Cooperation National Local Joint Engineering Laboratory for Key Materials of New Energy Storage BatteryHunan Province Key Laboratory of Electrochemical Energy Storage&ConversionSchool of ChemistryXiangtan UniversityXiangtan 411105HunanChina State Key Laboratory of Advanced Metallurgy University of Science and Technology BeijingBeijing 100083China Key Laboratory of Hunan Province for Advanced Carbon-based Functional Materials School of Chemistry and Chemical EngineeringHunan Institute of Science and TechnologyYueyang 414006HunanChina

Lithium-rich manganese-based materials(LRMs) are promising cathode for high-energy-density lithiumion batteries due to their high capacity,low toxicity,and low ***,LRMs suffer from serious voltage decay and capacity fade due to continual migration and dissolution of transition metal ions(TMs) during cycling ***,a novel strategy is proposed to inhibit the TMs migration of LRMs through a modified separator by means of functionalized carbon coating layer,which depends on the chemical constraint of the abundant functional groups in the modified super *** addition,it has been found that the dissolution of TMs can be restrained based on the Le Chatelier's ***,the modified separator owns good wettability toward the *** a result,the LRMs cathode with the modified separator delivers a high discharge capacity of 329.93 mA h g-1 at 0.1 C,and achieves good cyclic performance,the enhanced reaction kinetics and low voltage ***,this work provides a new idea to promote the comprehensive electrochemical performances of Li-ion batteries with LRMs cathode through a strategy of separator modification.

关键词： Lithium-rich manganese-based materials functionalized separator TMs migration and dissolution Structure stability High-energy-density

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Coercivity mechanism of high-performance anisotropic heterostructure SmCo_(5)magnets

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Journal of Rare Earths 2024年第10期42卷 1882-1888页

作者： Yuan Teng Yuqing Li Weiqiang Liu Xiaochang Xu Zhanjia Wang Jianjun Yang Dongtao Zhang Hongguo Zhang Qingmei Lu Qiong Wu Weixing Xia Ming Yue Faculty of Materials and Manufacturing Key Laboratory of Advanced Functional MaterialsMinistry of Education of ChinaBeijing University of TechnologyBeijing100124China School of Mechanical and Electrical Engineering Henan Institute of Science and TechnologyXinxiang453000China School of Mechanical Engineering Anyang Institute of TechnologyAnyang455000China Key Laboratory of Magnetic Materials and Devices Ningbo Institute of Material Technology and EngineeringChinese Academy of SciencesNingbo315201China

Due to its large magnetocrystalline anisotropy field and high Curie temperature,SmCo-based magnets are irreplaceable in high-temperature applications,The hot-deformed SmCo-based magnets are especially attractive for their excellent corrosion resistance,making them more suitable for harsh ***,it is still challenging for hot-deformed SmCo-based magnets to obtain high magnetization and high coercivity ***,it is necessary to analyze the relationship between its microstructure and magnetic properties and explore its magnetic hardening mechanism to guide the further improvement of magnetic *** this paper,the anisotropic heterostructure SmCo_(5)magnet was prepared by combining large height-reduction and introducing a nano-grained Smrich *** c-axis texture,(BH)m of 16.1 MGOe,and H_(ci)of 9.6 kOe were obtained via the heterostructure with SmCo_(5)micron-grain and Sm-rich nano-scale *** magnetic domain observation and technical magnetization analysis demonstrate that the coe rcivity mechanism is dominated by *** results also show that the smooth and Sm-rich precipitated grain boundary provides weak pinning *** provides a reference for the development of high-pe rformance nanocrystalline SmCo_(5)magnets.

关键词： Permanent magnet Heterostructure Rare earths Coercivity mechanism Hot-deformed SmCo magnet

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Highly electronegative PtAu alloy for simultaneous hydrogen generation and ethanol upgrading

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Rare Metals 2023年第9期42卷 2949-2956页

作者： Kun Yin Meng-Gang Li Yu-Guang Chao Yin Zhou Shao-Jun Guo Fang-Ze Liu Hong-Bo Li Beijing Key Laboratory of Construction-Tailorable Advanced Functional Materials and Green Applications School of Materials Science&EngineeringBeijing Institute of TechnologyBeijing100081China School of Materials Science and Engineering Peking UniversityBeijing100871China Advanced Research Institute of Multidisciplinary Sciences Beijing Institute of TechnologyBeijing100081China

Simultaneous electrochemical synthesis of high-valueadded chemicals and hydrogen is a promising technology for efficient carbon utilization and renewable energy storage. However, the lack of rational guidance for desi... 详细信息

关键词： hydrogen alloy hinder

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Design principles of fluoroether solvents for lithium metal battery electrolytes unveiled by extensive molecular simulation and machine learning

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Journal of Energy Chemistry 2025年第3期102卷 52-62页

作者： Xueying Yuan Xiupeng Chen Yuanxin Zhou Zhiao Yu Xian Kong South China Advanced Institute for Soft Matter Science and Technology School of Emergent Soft MatterSouth China University of TechnologyGuangzhou 510640GuangdongChina Department of Chemical Engineering Stanford UniversityStanfordCA 94305USA Guangdong Provincial Key Laboratory of Functional and Intelligent Hybrid Materials and Devices South China University of TechnologyGuangzhou 510640GuangdongChina

Electrolyte engineering with fluoroethers as solvents offers promising potential for high-performance lithium metal *** recent progresses achieved in designing and synthesizing novel fluoroether solvents,a systematic understanding of how fluorination patterns impact electrolyte performance is still *** investigate the effects of fluorination patterns on properties of electrolytes using fluorinated 1,2-diethoxyethane(FDEE)as single *** employing quantum calculations,molecular dynamics simulations,and interpretable machine learning,we establish significant correlations between fluorination patterns and electrolyte *** fluorination levels enhance FDEE stability but decrease *** symmetry of fluorination sites is critical for stability and viscosity,while exerting minimal influence on ionic *** with highly symmetric fluorination sites exhibit favorable viscosity,stability,and overall electrolyte *** primarily depends on lithium-anion dissociation or *** findings provide design principles for rational fluoroether electrolyte design,emphasizing the trade-offs between stability,viscosity,and *** work underscores the significance of considering fluorination patterns and molecular symmetry in the development of fluoroether-based electrolytes for advanced lithium batteries.

关键词： Electrolyte engineering Fluoroether solvent Molecular simulation Machine learning

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Engineering aggregates of julolidine-substituted aza-BODIPY nanoparticles for NIR-II photothermal therapy

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Chinese Chemical Letters 2024年第12期35卷 388-392页

作者： Lulu Cao Yikun Li Dongxiang Zhang Shuai Yue Rong Shang Xin-Dong Jiang Jianjun Du Liaoning&Shenyang Key Laboratory of Functional Dye and Pigment Shenyang University of Chemical TechnologyShenyang 110142China State Key Laboratory of Fine Chemicals Dalian University of TechnologyDalian 116024China Department of Chemistry Graduate School of Advanced Science and EngineeringHiroshima UniversityHigashi-Hiroshima 7398526Japan

Near infrared-II(NIR-II)dyes have unique advantages in biomedical applications owing to the powerful ability in penetrating biological ***,NIR-II aza-BODIPY dye,QLD-BDP,was developed with julolidine at 1,7-sites and p-dimethylaminophenyl group at 3,*** to X-ray analysis,QLD-BDP exhibits significant distortion,and this molecule appears a bowl shaped *** photothermal conversion efficiency of the self-assembled QLD-BDP nanoparticles(QLD-BDP-NPs)can reach 50.5%,with maximum emission at 998 nm by the ***-BDP-NPs can cause the complete destruction of 4T1multicellular spheroids(MCSs),indicating a photothermal therapy(PTT)effect.

关键词： Aggregate NIR-II Julolidine Aza-BODIPY PTT

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High thermoelectric performance of flexible Ag/Ag_(2)Se composite film on nylon for low-grade energy harvesting

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Journal of Materials science & technology 2024年第12期179卷 79-85页

作者： Ying Liu Jiajia Li Zixing Wang Ping Wei Wenyu Zhao Lidong Chen Kefeng Cai Key Laboratory of Advanced Civil Engineering Materials of Ministry of Education Shanghai Key Laboratory of Development and Application for Metal-Functional MaterialsSchool of Materials Science&EngineeringTongji UniversityShanghai 201804China State Key Laboratory of High Performance Ceramics and Superfine Microstructure Shanghai Institute of CeramicsChinese Academy of SciencesShanghai 200050China University of Chinese Academy of Sciences Beijing 100049China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China

In this work,Ag/Ag_(2)Se composite films with excellent thermoelectric(TE)properties and flexibility are prepared based on a simple one-pot *** adjusting the nominal ratios of Ag/Se,an optimal Ag/Ag_(2)Se composite film shows a large power factor of~2275 μW m^(-1) K^(-2) at 300 *** an outstand-ing TE performance of the composite film is due to the unique microstructure and the synergistic effect between the Ag and Ag_(2)***,the composite film also shows outstanding flexibility(~91.8%of the initial electrical conductivity is maintained,and the S is unchanged after 1500 bending cycles with a bending radius of 4 mm).Furthermore,a 4-leg flexible TE generator assembled with the optimal film produces a voltage of 14.06 mV and 4.96 μW at a temperature difference of 30.4 *** work provides a new inspiration for the preparation of flexible Ag_(2)Se-based films with excellent TE performance near room temperature.

关键词： Thermoelectric Ag/Ag_(2)Se Flexible Film Power generator

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Synthesis of FeOOH scaly hollow tubes based on Cu_(2)O wire templates toward high-efficiency oxygen evolution reaction

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Rare Metals 2023年第6期42卷 1836-1846页

作者： Yu Zhang Xue-Ai Teng Ze-Qun Ma Rong-Ming Wang Woon-Ming Lau Ai-Xian Shan Beijing Advanced Innovation Center for Materials Genome Engineering and Center for Green Innovation School of Mathematics and PhysicsUniversity of Science and Technology BeijingBeijing100083China Beijing Advanced Innovation Center for Materials Genome Engineering Beijing Key Laboratory for Magneto-Photoelectrical Composite and Interface ScienceSchool of Mathematics and PhysicsUniversity of Science and Technology BeijingBeijing100083China Shunde Innovation School of University of Science and Technology Beijing Foshan528000China Institute of Materials Science and Devices School of Materials Science and EngineeringSuzhou University of Science and TechnologySuzhou215009China

For catalytic materials,the characteristics of one-dimension and hollowness are the promotion factors for their full presentation of catalytic activity,and through a template-as sis ted method,both above superiorities can be fused ***,we proposed a novel strategy inspired by Pearson's principle with Cu_(2)O wires as templates,and prepared FeOOH hollow tubes,which covered by FeOOH *** applied as oxygen evolution reaction(OER)catalyst,the FeOOH scaly hollow tubes(FeOOH SHTs)showed outstanding catalytic activity with a low overpotential of 245 mV to drive a current density of10 mA·cm^(-2),excellent kinetics manifesting as a low Tafel slope of 46.9 mV·dec^(-1),and robust *** work provides a new synthesis strategy for an ideal OER catalyst,FeOOH,with high inherent activity and enhances the feasibility to broaden the design ideas of transition metalbased catalysts.

关键词： FeOOH scaly hollow tube(SHT) Cu_(2)O wire template One-dimensional(1D)hollow structure Oxygen evolution reaction(OER)

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Magnetic-biased chiral molecules enabling highly oriented photovoltaic perovskites

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National science Review 2024年第2期11卷 221-230页

作者： Jing Chen Caner Deger Zhen-Huang Su Kai-Li Wang Guang-Peng Zhu Jun-Jie Wu Bing-Chen He Chun-Hao Chen Tao Wang Xing-Yu Gao Ilhan Yavuz Yan-Hui Lou Zhao-Kui Wang Liang-Sheng Liao Institute of Functional Nano&Soft Materials(FUNSOM) Laboratory of Advanced Negative Carbon TechnologiesSoochow University Department of Physics Marmara University Shanghai Synchrotron Radiation Facility(SSRF) Shanghai Advanced Research InstituteChinese Academy of Sciences College of Energy Soochow Institute for Energy and Materials Innovations Soochow University Macao Institute of Materials Science and Engineering Macau University of Science and Technology

The interaction between sites A, B and X with passivation molecules is restricted when the conventional passivation strategy is applied in perovskite（ABX3） photovoltaics. Fortunately, the revolving A-site presents an opportunity to strengthen this interaction by utilizing an external field. Herein, we propose a novel approach to achieving an ordered magnetic dipole moment, which is regulated by a magnetic field via the coupling effect between the chiral passivation molecule and the A-site（formamidine ion） in *** strategy can increase the molecular interaction energy by approximately four times and ensure a well-ordered molecular arrangement. The quality of the deposited perovskite film is significantly optimized with inhibited nonradiative recombination. It manages to reduce the open-circuit voltage loss of photovoltaic devices to 360 mV and increase the power conversion efficiency to 25.22%. This finding provides a new insight into the exploration of A-sites in perovskites and offers a novel route to improving the device performance of perovskite photovoltaics.

关键词： perovskite photovoltaics magnetic moment A-site regulation chiral molecules

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First-principles calculations of Ni–(Co)–Mn–Cu–Ti all-d-metal Heusler alloy on martensitic transformation,mechanical and magnetic properties

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International Journal of Minerals,Metallurgy and Materials 2023年第5期30卷 930-938页

作者： Huaxin Qi Jing Bai Miao Jin Jiaxin Xu Xin Liu Ziqi Guan Jianglong Gu Daoyong Cong Xiang Zhao Liang Zuo Key Laboratory for Anisotropy and Texture of Materials(Ministry of Education) School of Material Science and EngineeringNortheastern UniversityShenyang 110819China Key Laboratory of Dielectric and Electrolyte Functional Material Hebei Province School of Resources and MaterialsNortheastern University at QinhuangdaoQinhuangdao 066004China State Key Laboratory of Metastable Materials Science and Technology Yanshan UniversityQinhuangdao 066004China Beijing Advanced Innovation Center for Materials Genome Engineering State Key Laboratory for Advanced Metals and MaterialsUniversity of Science and Technology BeijingBeijing 100083China

The martensitic transformation,mechanical,and magnetic properties of the Ni_(2)Mn_(1.5-x)Cu_(x)Ti_(0.5) (x=0.125,0.25,0.375,0.5) and Ni_(2-y)Co_(y)Mn_(1.5-x)Cu_(x)Ti_(0.5)[(x=0.125,y=0.125,0.25,0.375,0.5) and (x=0.125,0.25,0.375,y=0.625)]alloys were systematically studied by the first-principles *** the formation energy,the martensite is smaller than the austenite,the Ni–(Co)–Mn–Cu–Ti alloys studied in this work can undergo martensitic *** austenite and non-modulated (NM) martensite always present antiferromagnetic state in the Ni_(2)Mn_(1.5-x)Cu_(x)Ti_(0.5) and Ni_(2-y)Co_(y)Mn_(1.5-x)Cu_(x)Ti_(0.5) (y<0.625) *** y=0.625 in the Ni_(2-y)Co_(y)Mn_(1.5-x)Cu_(x)Ti_(0.5) series,the austenite presents ferromagnetic state while the NM martensite shows antiferromagnetic *** doping can decrease the thermal hysteresis and anisotropy of the Ni–(Co)–Mn–Ti *** Mn and decreasing Ti content can improve the shear resistance and normal stress resistance,but reduce the toughness in the Ni–Mn–Cu–Ti *** the ductility of the Co–Cu co-doping alloy is inferior to that of the Ni–Mn–Cu–Ti and Ni–Co–Mn–Ti *** electronic density of states was studied to reveal the essence of the mechanical and magnetic properties.

关键词： Ni–Mn–Ti-based all-d-metal Heusler alloys first-principles calculations mechanical properties martensitic transformation magnetic properties

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Work-function effect of Ti_(3)C_(2)/Fe-N-C inducing solid electrolyte interphase evolution for ultra-stable sodium storage

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Nano Research 2024年第8期17卷 7163-7173页

作者： Huicong Xia Lingxing Zan Hongliang Dong Yifan Wei Yue Yu Jinfu Shu Jia-Nan Zhang Chong-Xin Shan Key Laboratory of Advanced Energy Catalytic and Functional Material Preparation of Zhengzhou College of Materials Science and EngineeringZhengzhou UniversityZhengzhou 450001China Key Laboratory of Materials Physics of Ministry of Education School of Physics and MicroelectronicsZhengzhou UniversityZhengzhou 450001China Key Laboratory of Chemical Reaction Engineering of Shaanxi Province College of Chemistry and Chemical EngineeringYan’an UniversityYan’an 716000China Center for High Pressure Science and Technology Advanced Research PudongShanghai 201203China Key Laboratory of Advanced Energy Materials Chemistry(Ministry of Education) Nankai UniversityTianjin 300071China

In the quest to enhance the efficiency of sodium-ion batteries,the dynamics of solid electrolyte interphase(SEI)formation are of paramount *** SEI layer’s integrity is integral to the charge–discharge efficiency and the overall longevity of the ***,a novel two-dimensional Ti_(3)C_(2) fragments enmeshed on iron-nitrogen-carbon(Fe-N-C)nanosheets(Ti_(3)C_(2)/Fe-NC)has been *** electrode features a matrix which has been shown to expedite SEI layer formation through the facilitation of selective anion adsorption,thus augmenting battery *** functional theory calculation reveals that the SEI evolution energy of NaPF6 at the Ti_(3)C_(2)/Fe-N-C interface is 0.81 eV,significantly lower than the Ti_(3)C_(2)(1.23 eV).This process is driven by the electron transportation from Ti_(3)C_(2) to Fe-N-C substrate,facilitated by their work-function difference,leading to the formation of ferromagnetic Fe species,which possesses Fe 3d d_(xz)d_(z)2 orbitals and undergoes hybridization with theπandσorbitals of NaF,creating a key intermediate during *** process diminishes the antibonding energy and attenuates the orbital interaction with NaF,thus reducing the activation energy and improving the SEI formation reaction ***,it leads to the creation of multi-interface SEI characterized by high-throughput ion transport and an efficient reaction network.

关键词： Ti_(3)C_(2)/Fe-N-C heterostructure work-function electron interaction solid electrolyte interphase sodium storage

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