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A multiphase sodium vanadium phosphate cathode material for high-rate sodium-ion batteries

Journal of Materials Science & Technology 2021年第7期66卷 121-127页

作者： Chuan Wang Hai Long Lijiao Zhou Chao Shen Wei Tang Xiaodong Wang Bingbing Tian Le Shao Zhanyuan Tian Haijun Su keyu Xie Research&Development Institute of Northwestern Polytechnical University in Shenzhen Northwestern Polytechnical UniversityShenzhen 518057China State Key Laboratory of Solidification Processing Center for Nano Energy MaterialsSchool of Materials Science and EngineeringNorthwestern Polytechnical University and Shaanxi Joint Laboratory of Graphene(NPU)Xi'an 710072China School of Chemical Engineering and Technology Xi'an Jiaotong UniversityXi'an 710049China Central Analytical Research Facility Queensland University of Technology.Australia International Collaborative Laboratory of 2D Materials for Optoelectronics Science and Technology of Ministry of Education Institute of Microscale OptoelectronicsShenzhen UniversityShenzhen 518060China Shaanxi Coal and Chemical Technology Institute Co. Ltd.Jinye RoadXi'an 710070China

The unsatisfactory rate capability and poor cycling stability at high rate of sodium-ion batteries(SIBs) have impeded their practical applications. Herein, a Na_(3)V_(2)(PO_(4))_(3)/Na_(3)V_(3)(PO_(4))_(4) multiphase cathode materials for high-rate and long cycling SIBs was successfully synthesized by regulation the stoichiometric ratio of raw materials. The combined experiment and simulation results show that the multiphase materials consisted of NASICON structural phase Na3V2(PO4)3 and layered structure phase Na_(3)V_(3)(PO_(4))_(4), possess abundant phase boundaries. Electrochemical experiments demonstrate that the multiphase materials maintain a remarkable reversible capacity of 69.0 mA h g^(-1) even at an ultrahigh current density of 100 C with a high capacity retention of 81.25 % even after 10,000 cycles. Na_(3)V_(2)(PO_(4))_(3)/Na_(3)V_(3)(PO_(4))_(4) electrode exhibits a higher working voltage, superior rate capability and better cycling stability than Na_(3)V_(2)(PO_(4))_(3) electrode, which indicates that the introduction of second phase can be an effective strategy for the development of novel cathode materials for SIBs.

关键词： Sodium-ion batteries High-rate capability Multiphase Na_(3)V_(2)(PO_(4))_(3) Na_(3)V_(3)(PO_(4))_(4)

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3D misfit potentials dependent deformation behaviors with respect to different dislocation core structures of fcc metals

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Physical Review Materials 2025年第6期9卷 063604-063604页

作者： Hao Li Jinglian Du Shun-Li Shang Zi-Kui Liu Feng Liu State Key Laboratory of Solidification Processing Northwestern Polytechnical University Xi'an Shaanxi 710072 People's Republic of China Department of Materials Science and Engineering The Pennsylvania State University University Park Pennsylvania 16802 USA Analytical & Testing Center Northwestern Polytechnical University Xi'an Shaanxi 710072 People's Republic of China

Dislocations, both screw and nonscrew, in fcc metals are crucial in forming dislocation substructures, significantly influencing deformation mechanisms such as deformation twinning and martensite transformation. In this work, the effects of dislocation types on the deformation behaviors of fcc Al, Cu, and Fe are investigated using the semidiscrete variational Peierls-Nabarro (PN) model. The three-dimensional (3D) misfit potentials are determined from first-principles calculations. The deformation mechanisms and mechanical behaviors are analyzed in terms of variations in the dislocation core structures, along with the PN stress τp and Peierls potential Ep. It is found that the decomposition behaviors of dislocations in fcc metals, as characterized by the stacking fault width, are influenced by the dislocation line angle θ. The interplanar distance Δx perpendicular to the dislocation line, as a function of θ in fcc metals, dominates the magnitude of PN stress τp and Peierls potential Ep. For instance, with Δx decreasing from 3/2 to 1/2, the τp, e.g., for fcc Cu, reduces from 3.20 MPa (screw dislocation) to 0.002 MPa (edge dislocation). The increase of θ is unfavorable to dislocation cross-slip but promotes the occurrence of dislocation climb, deformation twinning, and ε-martensite transformation. Consequently, the strain hardening rate can be enhanced in terms of such variations in the deformation behaviors for fcc Al, Cu, and Fe. Our investigations offer an insightful guidance for qualitatively assessing the likelihood and degree of deformation twinning and ε-martensite transformation in fcc metals via examining the dislocation core structures.

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Great Increasing N Content in Fe-Embedded Carbon Nanotubes To Effectively Activate Persulfate for Radical and Nonradical Degradation of Organic Contaminants

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SSRN 2023年

作者： Zhang, Junjie Wang, Wenxi Gao, Wenran Cai, Yuncheng Wang, Wei Tan, Fatang Wang, Xinyun Qiao, Xueliang Wong, Po Keung State Key Laboratory of Materials Processing and Die & Mould Technology School of Materials Science and Engineering Huazhong University of Science and Technology Hubei Wuhan430074 China Joint International Research Laboratory of Biomass Energy and Materials Co-Innovation Center of Efficient Processing Utilization of Forest Resources College of Materials Science and Engineering Nanjing Forestry University Jiangsu Nanjing210037 China Huazhong University of Science & Technology Analytical and Testing Center Huazhong University of Science and Technology Hubei Wuhan430074 China School of Life Sciences The Chinese University of Hong Kong NT Shatin Hong Kong

N atoms in carbonaceous catalysts are usually considered as the key active centers for catalytic/activated reactions. However, the raise of N content in metal-carbonaceous composites is still a great challenge. In this work, the N content in Fe-embedded carbon nanotubes (Fe@CNTs) was greatly enriched via a Zn-N linkage process, giving Fe-embedded N-rich carbon nanotubes (Fe@NRCNTs). The N content of Fe@NRCNTs was up to 7.43 atom%, reaching the highest value among other Fe-embedded carbonaceous materials. Zn-N linkage could induce more active C sites in g-C3N4 intermediate for N-doping and inhibit the release of N-containing gases, resulting in N enrichment during the formation of Fe@NRCNTs. More importantly, the as-obtained Fe@NRCNTs exhibited excellent performance towards persulfate (PS) activation for TC degradation, and its rate constant was four times higher than that of Fe@CNTs. The high N content provided more active site for nonradical activation, and also accelerated the electron transfer between Fe and CNTs, beneficial for radical activation. Furthermore, Fe@NRCNTs could work in a very wide pH range (2.2-10.3), accompanying with high adaptability and reusability. This work provided a feasible strategy to increase N content in metal-embedded carbonaceous materials for highly efficient radical and nonradical persulfate activation. © 2023, The Authors. All rights reserved.

关键词： Carbon nanotubes

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High-density metastable annealing twin boundaries-induced extraordinary strain hardening in ultrafine-grained high-entropy alloy

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Acta Materialia 2025年 295卷

作者： Huo, P.D. Huang, L.K. Song, K.X. Qin, G. Liu, F. State Key Laboratory of Solidification Processing Northwestern Polytechnical University Shaanxi Xi'an710072 China Analytical & Testing Center Northwestern Polytechnical University Shaanxi Xi'an710072 China Institute of Materials Henan Academy of Science Henan Zhengzhou450002 China School of Materials Science and Engineering Harbin Institute of Technology Heilongjiang Harbin150001 China

Twin boundaries (TBs) are well known to play a critical role in affecting the mechanical properties of face-centered cubic (FCC) metals and alloys. However, most existing strategies that leverage TB-dislocation interaction for strengthening while maintaining ductility rely primarily on stable TBs, following the widely held "stable-is-better" belief. Here, we report, for the first time, the fabrication of highly dense, metastable annealing TBs (ATBs) with the highest density of 1.93 μm−1 ever achieved, within an ultrafine-grained FCC Fe49Mn30Co10Cr10C high-entropy alloy. This structure delivers a superior strength–ductility synergy while preserving a remarkable strain hardening ability typically observed in coarse-grained materials, even surpassing that of base material with stable ATBs upon deformation and, thus, demonstrating the paradigm "metastable is also better". On this basis, we reveal a previously unidentified strain hardening mechanism driven by densely metastable ATBs, which interact with dislocations to dynamically transform into high-angle grain boundaries. This transformation enables the production of high-density dislocations, generates a new type of dynamic Hall–Petch effect, and promotes cross slip. These effects play a major role in enhancing strain hardening, resulting in sluggish dislocation slip controlled by the high driving force and high generalized stability. Our findings provide new insights into the role of ATBs upon deformation that is different from that conventionally reported in the literature, and highlight the potential of manipulating high-density metastable ATBs to significantly improve the strain hardening capability of FCC metals and alloys. © 2025 Acta Materialia Inc.

关键词： Hardening

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Nanocrystals for large Stokes shift-based optosensing

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Chinese Chemical Letters 2019年第10期30卷 1843-1848页

作者： Ronghui Zhou Xiaomei Lu Qin Yang Peng Wu State Key Laboratory of Oral Diseases West China Hospital of StomatologySichuan UniversityChengdu 610041China Analytical&Testing Center Sichuan UniversityChengdu 610064China College of Light Industry and Textile and Food Engineering Sichuan UniversityChengdu 610065China

Stokes shift is an important feature of fluorescence, which reveals the energy loss between the excitation and the emission. For most fluorescent materials(e.g., organic dyes and proteins), the large overlap between the absorption and emission spectra endow them a small Stokes shift that induced reabsorption by fluorophore itself. Although the self-absorption can be effectively reduced due to the emergence of fluorescent nanomaterials, fluorescence attenuation is still observed in aggregated or concentrated nanocrystals, causing reduced sensitivity of biosensors. Therefore, increasing the Stokes shift can effectively improve the performance of nano-agents based biosensing. In this critical review, through understanding the Stokes shift from the viewpoint of self-absorption, the influence of Stokes shift on fluorescence properties are discussed. Based on the principle of changing the Stokes shift of fluorescent nanomaterials, we described the methods for constructing various optically large Stokes shift-based nanomaterials, and the application of these nanocrystals in biosensing is especially concerned in this review.

关键词： Stokes shift Self-absorption Band gap Optical nanocrystals Biosensing

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Single crystal metal-organic framework constructed by vertically self-pillared nanosheets and its derivative for oriented lithium plating

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Chinese Journal of Catalysis 2021年第9期42卷 1553-1560页

作者： Xiaomin Jia Shaowen Li Tu Sun Yanzhi Wang Yaqi Fan Chaochao Zhang Yang Xu Zuozhong Liang Haitao Lei Wei Zhang Yuye Zhou Yanhang Ma Haoquan Zheng Yue Ma Rui Cao Key Laboratory of Applied Surface and Colloid Chemistry Ministry of EducationSchool of Chemistry and Chemical EngineeringShaanxi Normal UniversityXi’an 710119ShaanxiChina Center for Nano Energy Materials State Key Laboratory of Solidification ProcessingSchool of Materials Science and EngineeringNorthwestern Polytechnical UniversityXi'an 710072ShaanxiChina School of Physical Science and Technology ShanghaiTech UniversityShanghai 201210China School of Engineering Sciences in Chemistry Biotechnology and HealthDepartment of ChemistryDivision of Applied Physical ChemistryAnalytical ChemistryKTH Royal Institute of TechnologySE‐10691StockholmSweden

This vertically self‐pillared(VSP)structure extends the application range of traditional porous materials with facile mass/ion transport and enhanced reaction ***,we prepare a single crystal metal‐organic framework(MOF),employing the ZIF‐67 structure as a proof of concept,which is constructed by vertically self‐pillared nanosheets(VSP‐MOF).We further converted VSP‐MOF into VSP‐cobalt sulfide(VSP‐CoS2)through a sulfidation *** plays an important role in almost all battery technologies;for metallic batteries,lithium anodes exhibit a high theoretical specific capacity,low density,and low redox ***,during the half‐cell reaction(Li++e=Li),uncontrolled dendritic Li penetrates the separator and solid electrolyte interphase *** employed as a composite scaffold for lithium metal deposition,there are many advantage to using this framework:1)the VSP‐CoS2 substrate provides a high specific surface area to dissipate the ion flux and mass transfer and acts as a pre‐catalyst,2)the catalytic Co center favors the charge transfer process and preferentially binds the Li+with the enhanced electrical fields,and 3)the VSP structure guides the metallic propagation along the nanosheet 2D orientation without the protrusive *** these features enable the VSP structure in metallic batteries with encouraging performances.

关键词： Vertically self‐pillared structure Metal organic framework Pre‐catalyst preparation Lithium plating orientation Metallic battery

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Peripheral NV-induced electron transfer to Fe1 single atoms for highly efficient O_(2)activation

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Chinese Journal of Catalysis 2025年第5期72卷 187-198页

作者： Fenli Liu Man Yang Jianglin Duan Zhiyu Yin Mingyang Shi Fuqing Chen Huifeng Xiong Xin Liu Wengang Liu Qixing Xia Shaodong Sun Dan Feng Haifeng Qi Yong Qin Yujing Ren Interdisciplinary Research Center of Biology&Catalysis School of Life SciencesNorthwestern Polytechnical UniversityXi’an 710072ShaanxiChina School of Materials Science and Engineering Xi’an University of TechnologyXi’an 710048ShaanxiChina School of Resources and Materials Northeastern University at QinhuangdaoQinhuangdao 066004HebeiChina Max Planck-Cardiff Centre on the Fundamentals of Heterogeneous Catalysis FUNCAT Translational Research HubCardiff UniversityMaindy RoadCardiff CF244HQUK. College of Materials Science and Engineering Qingdao University of Science and TechnologyQingdao 266042ShandongChina Institute of Culture and Heritage Northwestern Polytechnical UniversityXi’an 710072ShaanxiChina Analytical&Testing Center Northwestern Polytechnical UniversityXi’an 710072ShaanxiChina State Key Laboratory of Coal Conversion Institute of Coal ChemistryChinese Academy of SciencesTaiyuan 030001ShanxiChina Chongqing Innovation Center Northwestern Polytechnical UniversityChongqing 401135China Shenzhen Research Institute of Northwestern Polytechnical University Shenzhen 518057GuangdongChina

Catalytic oxidation plays a crucial role in chemical industry,in which the utilization of abundant and environmental-friendly oxygen(O_(2))as oxidant aligns with sustainable development principles in green ***,the intrinsic inertness of ground-state O_(2) molecule poses a long-standing challenge in developing an efficient non-noble metal-based ***,inspired by the electron transfer process in respiratory chain,we engineered long-range N_(V) to mediate Fe_(1) center for O_(2) activation in aerobic *** in/quasi-situ spectroscopic characterizations and control experiments suggest the Fe_(1) site efficiently adsorbs O_(2),and the N_(V) site facilitates electron delocalization to adjacent Fe_(1),providing efficient transformation of O_(2) to reactive oxygen species that boost oxidation reactions *** Fe_(1)--N_(V) single-atom catalyst demonstrates outstanding catalytic performance in aerobic oxidations of alkanes,N-heterocycles,alcohols,and amines under relatively mild *** findings offer a new perspective for designing high-efficiency heterogeneous catalysts in aerobic oxidations,promising various potential applications.

关键词： Single-atom catalyst Peripheral-nitrogen effect Long-range NV Synergistic catalysis Aerobic oxidation

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Modeling Competitive Precipitations among Iron Carbides during Low-Temperature Tempering of Martensitic Carbon Steel

SSRN

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SSRN 2019年

作者： Wang, Tianle Du, Jinglian Liu, Feng State Key Laboratory of Solidification Processing Northwestern Polytechnical University Xi’an Shaanxi710072 China Analytical & Testing Center Northwestern Polytechnical University Xi’an Shaanxi710072 China

Upon tempering of martensitic carbon steels, transition carbides (TCs), as precipitated precursors that compete for available C atoms among multiple iron carbides, are usually regarded as either the hexagonal Ε-Fe2C or the orthorhombic η-Fe2C, both of which have tremendous influences on the microstructural evolution and the final properties of steels, but still cannot be clearly distinguished experimentally, so far. It is timely to grasp the corresponding atomic-scale nature to predict the real structure of the TCs. Based on maximal entropy production principle (MEPP) and atomic-scale computations, a Fokker-Planck type equation (FPE) following a modified multi-scale modeling framework, is solved for competitive precipitations among the potential iron carbides, including Ε-Fe2C, η-Fe2C and θ-Fe3C, during the low-temperature tempering of carbon steel. The obtained microstructural evolution path dominated by synergy of thermodynamics and kinetics indicates a precipitation sequence for TCs, i.e. Ε → η, which is further verified by the minimum energy path (MEP) in terms of the solid-state nudged elastic band (SSNEB) method. On this basis, the potential hexagonal-orthorhombic transformation (HOT) of TCs is discussed, by which the probable structure of TCs can be accurately identified in experiment. The current modeling framework is expected to be a worthy paradigm for reference to predict the structural evolution of TCs in engineering materials. © 2019, The Authors. All rights reserved.

关键词： Temperature

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Corrigendum to ‘Atomic scale understanding of the defects process in concurrent recrystallization and precipitation of Sm-Co-Fe-Cu-Zr alloys’[Acta Materialia 202 (2021) 290-301]

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Acta Materialia 2022年 227卷

作者： Xin Song Tianyu Ma Xianglong Zhou Fan Ye Tao Yuan Jingdong Wang Ming Yue Feng Liu Xiaobing Ren Frontier Institute of Science and Technology and State Key Laboratory for Mechanical Behavior of Materials Xi'an Jiaotong University Xi'an 710049 China The Southwest Applied Magnetism Research Institute Mianyang 621000 China College of Materials Science and Engineering Beijing University of Technology Beijing 100124 China State Key Laboratory of Solidification Processing and Analytical & Testing Center Northwestern Polytechnical University Xi'an 710072 China National Institute for Materials Science Tsukuba Ibaraki 305-0047 Japan

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Ultrathin nanobelts-assembled Chinese knot-like 3D TiO2 for fast and stable lithium storage

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Nano Research 2018年第4期11卷 2116-2128页

作者： Qili Wu Shiman He Xianfeng Yang Jingling Yang Gaoren Li Yuying Meng Shengfu Tong Liqiang Mai Mingmei Wu MOE Key Laboratory of Bioinorganic and Synthetic Chemistry School of Chemistry Sun Yat-Sen University Guangzhou 510275 China Analytical and Testing Center South China University of Technology Guangzhou 510640 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 China

Nanostructured TiO2 has applications in solar cells, photocatalysts, and fast- charging, safe lithium ion batteries （LIBs）. To meet the demand of high-capacity and high-rate LIBs with TiO2-based anodes, it is important to fine-tune the nanoarchitecture using a well-controlled synthesis approach. Herein, we report a new approach that involves epitaxial growth combined with topotactic conversion to synthesize a unique type of three-dimensional （3D） TiO2 nano- architecture that is assembled by well-oriented ultrathin nanobelts. The whole nanoarchitecture displays a 3D Chinese knot-like morphology; the core consists of robust perpendicular interwoven nanobelts and the shell is made of extended nanobelts. The nanobelts oriented in three perpendicular [001]A directions facilitate Li＋ penetration and diffusion. Abundant anatase/TiO2-B interfaces provide a large amount of interfacial pseudocapacitance. A high and stable capacity of 130 mA.h.g-1 was obtained after 3,000 cycles at 10 A·g-1 （50 C）, and the high-rate property of our material was greater than that of many recently reported high-rate TiO2 anodes. Our result provides, not only a novel synthesis strategy, but also a new type of 3D anatase TiO2 anode that may be useful in developing long-lasting and fast-charging batteries.

关键词： three-dimensional （3D） nanoarchitectures ultrathin nanobelts TiO2 lithium ion storage ultrahigh rate battery

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