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Mg/Fe site-specific dual-doping to boost the performance of cobalt-free nickle-rich layered oxide cathode for high-energy lithium-ion batteries

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Journal of Energy Chemistry 2024年第4期91卷 670-679页

作者： Yunting Wang Gaohui Du Di Han Wenhao Shi Jiahao Deng Huayu Li Wenqi Zhao Shukai Ding Qingmei Su Bingshe Xu Materials Institute of Atomic and Molecular Science Shaanxi University of Science and TechnologyXi'an 710021ShanxiChina Shanxi-Zheda Institute of Advanced Materials and Chemical Engineering Taiyuan 030024ShanxiChina Key Laboratory of Interface Science and Engineering in Advanced Materials Taiyuan University of TechnologyTaiyuan 030024ShanxiChina

Layer-type LiNi0.9Mn0.1O2is promising to be the primary cathode material for lithium-ion batteries(LIBs)due to its excellent electrochemical performance.Unfortunately,the cathode with high nickel content suffers from severely detrimental structural transformation that causes rapid capacity attenuation.Herein,site-specific dual-doping with Fe and Mg ions is proposed to enhance the structural stability of LiNi0.9Mn0.1O2.The Fe3+dopants are inserted into transition metal sites(3b)and can favorably provide additional redox potential to compensate for charge and enhance the reversibility of anionic redox.The Mg ions are doped into the Li sites(3a)and serve as O_(2)^(-)-Mg^(2+)-O_(2)^(-)pillar to reinforce the electrostatic cohesion between the two adjacent transition-metal layers,which further suppress the cracking and the generation of harmful phase transitions,ultimately improving the cyclability.The theoretical calculations,including Bader charge and crystal orbital Hamilton populations(COHP)analyses,confirm that the doped Fe and Mg can form stable bonds with oxygen and the electrostatic repulsion of O_(2)^(-)-O_(2)^(-)can be effectively suppressed,which effectively mitigates oxygen anion loss at the high delithiation state.This dual-site doping strategy offers new avenues for understanding and regulating the crystalline oxygen redox and demonstrates significant potential for designing high-performance cobalt-free nickel-rich cathodes.

关键词： cobalt-free Layered oxide Cathode Dual dopants Density functional theory calculation

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cobalt-free BaFe_(0.6)Zr_(0.1)Y_(0.3)O_(3−δ)Oxygen Electrode for Reversible Protonic Ceramic Electrochemical Cells

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Transactions of Tianjin University 2023年第6期29卷 444-452页

作者： Chenghao Yang Jin Li Ao Hu Jian Pu Bo Chi State Key Laboratory of Materials Processing and Die and Mould Technology School of Materials Science and EngineeringHuazhong University of Science and TechnologyWuhan 430074China Hubei Collaborative Innovation Center for Advanced Organic Chemical Materials MOE Key Laboratory for the Green Preparation and Application of Functional MaterialsFaculty of Materials Science and EngineeringHubei UniversityWuhan 430062China MOE Key Laboratory of Material Chemistry for Energy Conversion and Storage Huazhong University of Science and TechnologyWuhan 430074China

Reversible protonic ceramic electrochemical cells(R-PCECs)are ideal,high-effi ciency devices that are environmentally friendly and have a modular design.This paper studies BaFe_(0.6)Zr_(0.1)Y_(0.3)O_(3−δ)(BFZY3)as a cobalt-free perovskite oxygen electrode for high-performance R-PCECs where Y ions doping can increase the concentration of oxygen vacancies with a remarkable increase in catalytic performance.The cell with confi guration of Ni-BZCYYb/BZCYYb/BFZY3 demonstrated promising performance in dual modes of fuel cells(FCs)and electrolysis cells(ECs)at 650℃with low polarization resistance of 0.13Ωcm^(2),peak power density of 546.59 mW/cm^(2)in FC mode,and current density of−1.03 A/cm^(2)at 1.3 V in EC mode.The alternative operation between FC and EC modes for up to eight cycles with a total of 80 h suggests that the cell with BFZY3 is exceptionally stable and reversible over the long term.The results indicated that BFZY3 has considerable potential as an air electrode material for R-PCECs,permitting effi cient oxygen reduction and water splitting.

关键词： Protonic ceramic cells Oxygen electrode Perovskite oxides cobalt-free Oxygen vacancies

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Achieving exceptional activity and durability toward oxygen reduction based on a cobalt-free perovskite for solid oxide fuel cells

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Journal of Energy Chemistry 2021年第11期30卷 653-659,I0016页

作者： Feifei Dong Zhenghui Gao Bingkai Zhang Lu Li Ziqi Kong Zilin Ma Meng Ni Zhan Lin Guangzhou Key Laboratory of Clean Transportation Energy Chemistry School of Chemical Engineering and Light IndustryGuangdong University of TechnologyGuangzhou Higher Education Mega CenterGuangzhou 510006GuangdongChina Building Energy Research Group Department of Building and Real EstateThe Hong Kong Polytechnic UniversityHung HomKowloonHong Kong 999077China

In response to the shortcomings of cobalt-rich cathodes, iron-based perovskite oxides appear as promising alternatives for solid oxide fuel cells (SOFCs). However, their inferior electrochemical performance at reduced temperatures (cobalt-free perovskite Ba_(0.75)Sr_(0.25)Fe_(0.875)Ga_(0.125)O_(3−δ) (BSFG) is developed as an efficient oxygen reduction electrode for SOFCs, featuring cubic-symmetry structure, large oxygen vacancy concentration and fast oxygen transport. Benefiting from these merits, cells incorporated with BSFG achieve exceptionally high electrochemical performance, as evidenced by a low polarization area-specific resistance of 0.074 Ω cm^(2) and a high peak power density of 1145 mW cm^(−2) at 600 ℃. Meanwhile, a robust short-term performance stability of BSFG cathode can be ascribed to the stable crystalline structure and favorable thermal expansion behavior. First-principles computations are also conducted to understanding the superior activity and durability toward oxygen reduction reaction. These pave the way for rationally developing highly active and robust cobalt-free perovskite-type cathode materials for reduced-temperature SOFCs.

关键词： Solid oxide fuel cell Cathode Perovskite Oxygen reduction reaction cobalt-free

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Influence of Solution Treatment on Impact Toughness and Microstructure of cobalt-free Maraging Steel

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稀有金属材料与工程 2011年第S3期40卷 114-117页

作者： Yu Jianmin1, Li Baocheng1, Zhang Baohong2, Yang Weiyu2 1North University of China, Taiyuan 030051, China 2Engineering Research Center of Magnesium-base Material Processing Technology, Ministry of Education, Taiyuan 030051, China N Univ China Coll Mat Sci & Engn Taiyuan 030051 Peoples R China Minist Educ Engn Res Ctr Magnesium Base Mat Proc Technol Taiyuan 030051 Peoples R China

The influence of different solution temperature on microstructure and impact toughness of cobalt-free maraging steel 00Ni14Cr3Mo3Ti was investigated by SEM and X-Ray diffractometer.The experimental results showed that with the solution temperature variation, the martensite morphology has not changed, is still lath martensite.Undissolved Laves phase hindered the dislocation movement after 750 ℃ solution heat treatment, which result in a very low impact absorbed energy, the impact fracture has no obvious plastic deformation, with bad toughness.With the solution temperature increased, the undissolved phase gradually dissolved, the impact absorbed energy increased gradually.All the Laves phase dissolved when reach to 900 ℃, the impact absorbed energy reaches the maximum, is 61 J.Fracture morphology change from brittle fracture into toughness transgranular fracture with deep dimple. When solution temperature is above 900 ℃, with the solution temperature further increase, austenite grain size increases significantly.Average grain diameter of austenite is about 70 μm after 1050 ℃ solution treatment, the density of precipitates on the grain boundary of maraging steel is increase substantially, deformation compatibility deteriorate, which result in the impact absorbed energy decreased significantly.Fracture type becomes transgranular and quasi-cleavage mixed fracture with the characteristics of the river patterns from ductile transgranular fracture.

关键词： cobalt-free maraging steel solution treatment impact toughness separation

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A Study of Neutron and Gamma-Ray Interaction Properties with cobalt-free Highly Chromium Maraging Steel

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Journal of Modern Physics 2015年第11期6卷 1526-1532页

作者： M. M. Kassab S. U. El-Kameesy M. M. Eissa A. Abdel-Latif M Department of Physics Faculty of Engineering Fayoum University Fayoum Egypt Department of Physics Faculty of Science Ain Shams University Cairo Egypt Department of Steel and Ferroalloys CMRDI Helwan Egypt

cobalt-free maraging steels of different compositions have been prepared by electro-slag remelting technique using titanium and chromium instead of cobalt. Neutron removal cross-sections have been calculated, also mass attenuation coefficients and effective electron densities have been determined for the prepared samples in the photon energy range up to 2.8 MeV. Other steel alloys and lead samples have also been investigated for the sake of comparison. The results prove the superiority of cobalt-free maraging steels compared with the other steel types to be used as a proper shielding material in the nuclear field. Among the investigated steels, the steel “0.045%C- 13.35%Ni-2.05%Cr-4.5%Mo-0.06%Ti” has the best attenuation properties.

关键词： Maraging Steel cobalt-free Mass Attenuation Coefficients Effective Electron Density Fast Neutron Removal Cross-Section

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