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Rare Metals 2024年第6期43卷 2546-2559页

作者： Lei Li Xue-Jing Yang Yi-Yang Li Bo Jin Hui Liu Meng-Yang Cui Dong-Bo Guan Xing-You Lang Qing Jiang Key Laboratory of Automobile materials Ministry of Educationand College of Materials Science and EngineeringJilin UniversityChangchun 130022China

Lithium-sulfur batteries(LSBs)have attracted the attention of more and more researchers due to the advantages of high energy density,environmental friendliness,and low production ***,the low electronic conductivity of active material and shuttling effect of lithium polysulfides(LiPSs)limit the commercial development of *** solve these problems,we design a core-shell composite with nitrogen-doped carbon(NC)and two types of selenides(FeSe_(2)-NC@ZnSe-NC).The FeSe_(2)-NC@ZnSe-NC has a strong adsorption capacity,and can effectively adsorb *** the same time,it also effectively alleviates the shuttling effect of LiPSs,and improves the utilization of the active substance during the charge/discharge reaction *** mechanism involved in FeSe_(2)-NC@ZnSe-NC is demonstrated by both experiments and density-functional theory(DFT)*** electrochemical test results indicate that LSB with S/FeSe_(2)-NC@ZnSe-NC delivers an initial discharge capacity of 1260 mAh·g^(-1)at *** after 500 cycles at 1C,the capacity decay rate per cycle is 0.031%,and the capacity retention rate is 85%.The FeSe_(2)-NC@ZnSe-NC core-shell structure verifies a rational strategy to construct an electrode material for high-performance LSBs.

关键词： Lithium-sulfur batteries Shuttling effect Metal selenide Nitrogen-doped carbon Lithium polysulfides

In situ protonation in a locally flexible porous coordination polymer for enhancing proton-carrier loading and proton conductivity

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Science China Chemistry 2024年第10期67卷 3432-3437页

作者： Xianzhe Wei Jincheng Liu Yan Su Weitao Wang Guixiang Wang Gen Zhang Ping Wang Cheng Gu State Key Laboratory of Luminescent materials and Devices Institute of Polymer Optoelectronic Materials and DevicesSouth China University of Technology College of Polymer Science and engineering State Key Laboratory of Polymer Materials EngineeringSichuan University Key Laboratory for Soft Chemistry and Functional materials of Ministry of Education School of Chemistry and Chemical EngineeringNanjing University of Science and Technology

Designing efficient proton-conductive materials is crucial in fuel cells. Yet, it remains a substantial challenge because of the issues in proton mobility, proton-carrier amount, and orientation of proton host materials. Herein, we report an in-situ protonation strategy to produce a locally flexible porous coordination polymer(PCP) to enhance the proton-carrier loading and proton conductivity. The local dipole flipping of the ligand allows effective proton exchange with low activation energy, promoting interpore proton transport through the pore apertures and pore walls. The protonation induces substantial charges to the frameworks and enhances the interaction with proton carriers, thereby increasing the loading of the proton carriers. By this design strategy, the resulting PCP exhibits enhanced phosphoric acid loading and extraordinary proton conductivities under both aqueous and anhydrous conditions compared to its isoreticular analog that features rigidity without proton-exchange *** work provides a new avenue for designing proton-conductive materials that combine structural dynamics with performance merits.

关键词： porous coordination polymers in-situ protonation local flexibility proton-exchange mechanism proton conduction

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Growth,optical dispersion and magnetic behavior of Dy^(3+) doped yttrium iron garnet crystals

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Journal of Rare Earths 2024年第6期42卷 1110-1117,I0004页

作者： Yating Fang Hui Shen Yudie Ma Shijie Liao Shuang Xia Tian Tian Ding Zhou Yunfeng Ma Jiayue Xu Institute of Crystal Growth School of Materials Science and EngineeringShanghai Institute of Technology National engineering Center of Electromagnetic Radiation Control materials School of Electronic Science and EngineeringUniversity of Electronic Science and Technology of China

Y_(3)Fe_(5)O_(12)(YIG)crystals are highly desirable for the fabrication of mid-infrared isolators with the rapid growth of optical communications,although it is rather challenging to grow large size and high-quality single ***^(3+)doping is expected to improve the optical and magneto-optical prope ***,high quality Dy:YIG crystals and the adjustment of Dy^(3+)on the structure and optical behavior of YIG crystal remain unclear,impeding its practical ***,a series of Y_(3-x)Dy_(x)Fe_(5)O_(12)(x=0,0.5,1.0,1.5,3)solid solution crystals was grown by the flux-Bridgman method and single crystals up to 25 mm were *** the introduction of Dy^(3+),lattice parameters are gradually enlarged from 1.2379 nm(YIG)to 1.2420 nm(DyIG).Typical Dy^(3+)absorption peaks are observed around 1070,1265 and 1670 *** refractive index decreases from 2.37(500 nm)to 2.10(2500 nm)for YIG crystal,and it reduces from 2.47(500 nm)to 2.16(2500 nm)for DyIG *** optical bandgaps remain almost unchanged for Dy:YIG *** optical dispersion of the refractive indices was finely fitted by the Wemple and DiDomenico(WDD)and the Sellmeier models,*** the increase of Dy^(3+)content,the saturation magnetization(Ms)decreases significantly from 23.62 emu/g(YIG)to 5.33 emu/g(DyIG).Small coercive field is persisted for this system,endowing small external magnetic *** results provide valuable references for the manipulation of rare earths on the properties of magnetooptical crystals,which is beneficial to the design of high-performance garnet crystals for the application of optical switching and non-reciprocal related devices.

关键词： Magneto-optical crystal Yttrium iron garnet Dy^(3+)doping Crystal growth Optical dispersion Rare earths

Lignite-Based Hierarchical Porous C/SiOx Composites as High-Performance Anode for Potassium-Ion Batteries

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Energy & Environmental materials 2024年第4期7卷 107-117页

作者： Zexu Yang Shouwang Zhao Rongji Jiao Gengyu Hao Yunying Liu Wenxiu He Jingwei Chen Guixiao Jia Jinlong Cui Shaohui Li School of Chemistry and Chemical engineering Aerogel Functional Nanomaterials Laboratory Inner Mongolia University of Science & Technology School of materials Science and engineering Ocean University of China School of materials Science and engineering Zhengzhou University

Silicon oxide （SiOx,0 详细信息

Silicon oxide （SiOx,0

关键词： anode hierarchical porous C/SiOx K4SiO4 lignite potassium-ion batteries

Enhancing layered perovskite ferrites with ultra-high-density nanoparticles via cobalt doping for ceramic fuel cell anode

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Journal of Energy Chemistry 2024年第9期96卷 39-48页

作者： Shuo Zhai Rubao Zhao Hailong Liao Ling Fu Senran Hao Junyu Cai Yifan Wu Jian Wang Yunhong Jiang Jie Xiao Tao Liu Heping Xie State Key Laboratory of Intelligent Construction and Healthy Operation and Maintenance of Deep Underground engineering Shenzhen University&Sichuan UniversityShenzhen 518060GuangdongChina National and Local Joint engineering Research Center for Lithium-ion Batteries and materials Preparation Technology Key Laboratory of Advanced Battery Materials of Yunnan ProvinceFaculty of Metallurgical and Energy EngineeringKunming University of Science and TechnologyKunming 650093YunnanChina School of Energy and Environment City University of Hong KongKowloon 999077Hong KongChina

Nanoparticles anchored on the perovskite surface have gained considerable attention for their wide-ranging applications in heterogeneous catalysis and energy conversion due to their robust and integrated structural ***,we employ controlled Co doping to effectively enhance the nanoparticle exsolution process in layered perovskite ferrites *** alloy nanoparticles with ultra-high-density are exsolved on the(PrBa)_(0.95)(Fe_(0.8)Co_(0.1)Nb_(0.1))2O_(5+δ)(PBFCN_(0.1))surface under reducing atmosphere,providing significant amounts of reaction sites and good durability for hydrocarbon *** a reducing atmosphere,cobalt facilitates the reduction of iron cations within PBFCN_(0.1),leading to the formation of CoFe alloy *** formation is accompanied by a cation exchange process,wherein,with the increase in temperature,partial cobalt ions are substituted by ***,Co doping significantly enhance the electrical conductivity due to the stronger covalency of the Cosingle bondO bond compared with Fesingle bondO bond.A single cell with the configuration of PBFCN_(0.1)-Sm_(0.2)Ce_(0.8)O_(1.9)(SDC)|SDC|Ba_(0.5)Sr_(0.5)Co_(0.8)Fe_(0.2)O_(3−δ)(BSCF)-SDC achieves an extremely low polarization resistance of 0.0163Ωcm^(2)and a high peak power density of 740 mW cm^(−2)at 800℃.The cell also shows stable operation for 120 h in H_(2)with a constant current density of 285 mA cm^(−2).Furthermore,employing wet C_(2)H_(6)as fuel,the cell demonstrates remarkable performance,achieving peak power densities of 455 mW cm^(−2)at 800℃and 320 mW cm^(−2)at 750℃,marking improvements of 36%and 70%over the cell with(PrBa)_(0.95)(Fe_(0.9)Nb_(0.1))_(2)O_(5+δ)(PBFN)-SDC at these respective *** discovery emphasizes how temperature influences alloy nanoparticles exsolution within doped layered perovskite ferrites materials,paving the way for the development of high-performance ceramic fuel cell anodes.

关键词： Solid oxide fuel cell Anode Ethane fuel Nanoparticle Exsolution Layered perovskite Ferrites

Ten-Minute Synthesis of a New Redox-Active Aqueous Binder for Flame-Retardant Li-S Batteries

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Energy & Environmental materials 2024年第2期7卷 52-61页

作者： Tianpeng Zhang Borui Li Zihui Song Wanyuan Jiang Siyang Liu Runyue Mao Xigao Jian Fangyuan Hu School of materials Science and engineering State Key Laboratory of Fine Chemicals Frontiers Science Center for Smart Materials Oriented Chemical Engineering Technology Innovation Center of High Performance Resin Materials (Liaoning Province) Key Laboratory of Energy Materials and Devices (Liaoning Province) Dalian University of Technology State Key Laboratory of Fine Chemicals Frontiers Science Center for Smart Materials Oriented Chemical Engineering School of Chemical Engineering Technology Innovation Center of High Performance Resin Materials (Liaoning Province) Key Laboratory of Energy Materials and Devices (Liaoning Province) Dalian University of Technology

As a critical role in battery systems,polymer binders have been shown to efficiently suppress the lithium polysulfide shuttling and accommodate volume changes in recent ***,preparation processes and safety,as the key criterions for Li-S batteries' practical applications,still attract less ***,an aqueous multifunction binder（named PEI-TIC） is prepared via an easy and fast epoxy-amine ring-opening reaction（10 min）,which can not only give the sulfur cathode a stable mechanical property,a strong chemical adsorption and catalytic conversion ability,but also a fire safety *** Li-S batteries based on the PEI-TIC binder display a high discharge capacity(1297.8 mAh g-1),superior rate performance(823.0 mAh g-1at 2 C),and an ultralow capacity decay rate of 0.035% over more than 800 *** under 7.1 mg cm-2S-loaded,the PEI-TIC electrode can also achieve a high areal capacity of 7.2 mA h g-1and excellent cycling stability,confirming its application ***,it is also noted that TG-FTIR test is performed for the first time to explore the flame-retardant mechanism of polymer *** work provides an economically and environmentally friendly binder for the practical application and inspires the exploration of the flame-retardant mechanism of all electrode components.

关键词： 3D cross-linked network environmentally friendly flame retardant Li-S batteries multifunction binder

Electrolytes additives for Zn metal anodes: regulation mechanism and current perspectives

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Rare Metals 2024年第9期43卷 4162-4197页

作者： Yu-Zhe Zhang Huai-Sheng Ao Qi Dong Shao-Jie Zhang Zhi-Guo Hou Na-Na Wang Xue-Song Xie Jian Rong Zhong-Yu Li School of Environmental Science and engineering Changzhou University School of Petrochemical engineering Changzhou University Hefei National Laboratory for Physical Science at Microscale School of Chemistry and Materials Science University of Science and Technology of China Institute for Superconducting and Electronic materials Australian Institute for Innovative Materials Innovation Campus University of Wollongong Department of Chemical and materials engineering University of Alberta

With distinct advantages such as high gravimetric and volumetric capacity(5855 mAh·cm-3and 820mAh·g-1), low redox potential(-0.762 V vs. standard hydrogen electrode（SHE）), high abundance, low toxicity and intrinsic safety of Zn metal anode, Zn-ion batteries have become a potential alternative to Li-ion ***, several challenges still need to be addressed prior to the practical applications of Zn-ion batteries, such as dendrite growth during Zn plating/stripping and interfacial side reactions on the Zn surface. Such issues can be addressed by introducing additives to regulate the components and structures of the electrolyte. In this review, we systematically discussed the core issues of metallic Zn anodes and comprehensively summarized a novel perspective of the regulation mechanism of inhibiting dendrite growth or interfacial side reactions in Zn anodes by introducing additives into aqueous ***, some discussions and prospects for aqueous Zn ion batteries（AZIBs） are presented for future research.

关键词： AZIBs Current perspectives Electrolyte additives Regulation mechanism Zn metal anode

Deep-learning enabled atomic insights into the phase transitions and nanodomain topology of lead-free(K,Na)NbO_(3) ferroelectrics

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Science China materials 2024年第9期67卷 3029-3038页

作者： Xu Zhang Bei Li Ji Zou Hanxing Liu Ben Xu Kai Liu School of materials Science and engineering Research Center for Materials Genome EngineeringWuhan University of TechnologyWuhan430070China State Key Laboratory of Advanced Technology for materials Synthesis and Processing Wuhan University of TechnologyWuhan430070China International School of materials Science and engineering Wuhan University of TechnologyWuhan430070China Graduate School China Academy of Engineering PhysicsBeijing100193China

Lead-free K_(x)Na_(1-x)NbO_(3)(KNN)perovskites have garnered increasing attention due to their exceptional ferropiezoelectric properties,which are effectively tuned via polymorphic structures and domain ***,atomic insights into the underlying nanomechanisms governing the ferroelectricity of KNNs amidst varying factors such as composition,phase,and domain are still ***,we perform molecular dynamics simulations of phase transitions and domain dynamics for KNNs with various K/Na ratios(x=0.25∼1.0)by using ab-initio accuracy deep learning potential(DP).As a demonstration of its transferability,the newly developed DP model shows quantum accuracy in terms of the equation of states,elastic constants,and phonon dispersion relations for various KNbO_(3)and K_(0.5)Na_(0.5)NbO_(3).Furthermore,intricate temperature-dependent phase transitions and domain formation of KNNs are extensively and quantitatively *** indicate that for KNNs with compositions x ranging from 0.25 to 1.0,the paraelectric-to-ferroelectric phase transition of KNNs is driven primarily by the order-disorder effect,while the displacive effect is dominant in the subsequent ferroelectric phase ***,flux-closure or herringbone-like nanodomain patterns arranged with 90°domain walls formed close to the experimental *** analyses reveal that favorable 90°domain wall formation becomes more challenging with increasing Na content due to distinct oxygen octahedron distortion arising from the different ionic radii of K/Na *** is envisioned that the combination of unified DP and atomistic simulations will help offer a robust solution for more accurate and efficient in silico explorations of complex structural,thermodynamic,and ferroelectric properties for relevant energy storage and conversion materials.

关键词： KNN molecular dynamics deep potential phase transitions domain dynamics

Machine learning for prediction of retained austenite fraction and optimization of processing in quenched and partitioned steels

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Journal of Iron and Steel Research International 2024年第8期31卷 2002-2013页

作者： Shuai Wang Jie Li Li-yang Zeng Xun-wei Zuo Nai-lu Chen Yong-hua Rongg Shanghai Key Laboratory of materials Laser Processing and Modification School of Materials Science and EngineeringShanghai Jiao Tong UniversityShanghai 200240China School of materials Science and engineering Shanghai Jiao Tong UniversityShanghai 200240China

The metastable retained austenite(RA)plays a significant role in the excellent mechanical performance of quenching and partitioning(Q&P)steels,while the volume fraction of RA(V_(RA))is challengeable to directly predict due to the complicated relationships between the chemical composition and process(like quenching temperature(Qr)).A Gaussian process regression model in machine learning was developed to predict V_(RA),and the model accuracy was further improved by introducing a metallurgical parameter of martensite fraction(fo)to accurately predict V_(RA) in Q&P *** developed machine learning model combined with Bayesian global optimization can serve as another selection strategy for the quenching temperature,and this strategy is very effcient as it found the"optimum"Qr with the maximum V_(RA) using only seven consecutive *** benchmark experiment also reveals that the developed machine learning model predicts V_(RA) more accurately than the popular constrained carbon equilibrium thermodynamic model,even better than a thermo-kinetic quenching-partitioning-tempering-local equilibrium model.

关键词： Q&P steel Retained austenite fraction Machine learning Quenching temperature Gaussian process regression model

Mn single-atoms decorated CNT electrodes for high-performance supercapacitors

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Nano Research 2024年第5期17卷 4039-4046页

作者： Qian Rong Chao Yuwen Yingkai Liu Yuanrong Liu Chunyang Wang Yang Wang Ding Zhang Zhen Wen Yunnan Key Laboratory of Opto-Electronic Information Technology Institute of Physics and Electronic InformationYunnan Normal UniversityKunming 650500China Faculty of metallurgical and Energy engineering Kunming University of Science and TechnologyKunming 650093China Department of Physics and Astronomy University of CaliforniaIrvineCA 92697USA School of materials Science and engineering National Institute for Advanced MaterialsSmart Sensing Interdisciplinary Science CenterNankai UniversityTianjin 300350China Jiangsu Key Laboratory for Carbon-Based Functional materials and Devices Institute of Functional Nano and Soft Materials(FUNSOM)Soochow UniversitySuzhou 215123China

Developing highly robust and efficient electrode materials is of critical importance to promoting the energy density of current supercapacitors for ***,we report an efficient catalyst with monodispersed Mn single-atoms embedded in carbon nanotubes(Mn-CNTs)for enhancing the electrode performance of supercapacitors.A high specific capacitance(1523.6 F·g^(-1) at 1.0 A·g^(-1))can be achieved,which is about twice as high as the specific capacitance of the electrode material without the introduction of Mn ***,the asymmetric electrochemical capacitor created with Mn-CNT and activated carbon exhibits a high energy density of 180.8 Wh·kg^(-1) at a power density of 1.4 kW·kg^(-1),much higher than most reported *** study shows that the integration of Mn atoms into the CNT can enhance the charge transport capacity and the number of polar active sites of Mn-CNT and then facilitate chemical interactions between Mn-CNT and OH-.This work provides a novel strategy to enable high-energy storage in supercapacitors by introducing single-atoms into carbon nanotubes to improve electrodes’energy density and cycle life.

关键词： carbon nanotube(CNT) supercapacitor single-atoms power density energy density