| 1. |
- Chen, Yaqi, et al.
(författare)
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Insight into the Extreme Side Reaction between LiNi0.5Co0.2Mn0.3O2 and Li1.3Al0.3Ti1.7(PO4)3 during Cosintering for All-Solid-State Batteries
- 2023
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Ingår i: Chemistry of Materials. - 1520-5002 .- 0897-4756. ; 35:22, s. 9647-9656
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Tidskriftsartikel (refereegranskat)abstract
- All-solid-sate batteries (ASSBs) with a NASICON-type solid-state electrolyte (SSE) of Li1.3Al0.3Ti1.7(PO4)3 (LATP) can be accepted as a promising candidate to significantly improve safety and energy density due to their high oxidation potential and high ionic conductivity. However, thermodynamic instability between the cathode and LATP is scarcely investigated during cosintering preparation for the integrated configuration of ASSBs. Herein, the structural compatibility between commercially layered LiNi0.5Co0.2Mn0.3O2 (NCM523) and LATP SSE was systematically investigated by cosintering at 600 °C. It is noticeable that an extreme side reaction between Li from NCM523 and phosphate from LATP happens during its cosintering process, leading to a severe phase transition from a layered to a spinel structure with high Li/Ni mixing. Consequently, the capacity of NCM523 is lost during the preparation of the NCM523-LATP composite cathode. Based on this, we suggested that the interface modification of the NCM523/LATP interface is valued significantly to inhibit this extreme side reaction, quickening the application of LATP-based ASSBs.
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| 2. |
- Jiao, Xingxing, et al.
(författare)
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Insight of electro-chemo-mechanical process inside integrated configuration of composite cathode for solid-state batteries
- 2023
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Ingår i: Energy Storage Materials. - 2405-8297. ; 61
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Tidskriftsartikel (refereegranskat)abstract
- The complicated electro-chemo-mechanical process that occurs inside the composite cathode for solid-state batteries (SSBs), is of first importance to be insighted for the development of SSBs to seek higher energy density. Herein, exampled with layered transition-metal oxide of LiNixCoyMn1-x-yO2 (NCM), an electro-chemo-mechanical model containing electrochemical kinetics, finite-strain constitutive model and cohesive zone model was built to uncover the impact of ionic conductivity and Young's modulus (E) of solid-state electrolyte (SE) on the electro-chemo-mechanical process inside composite cathode and the intergranular failure of single cathode particle. The intergranular failure of NCM particles is powerfully determined by the Young's modulus of SE and the primary particle size, which is postponed by the coarse-primary NCM with soft SE of E=∼2 GPa. Compared with Young's modulus, increasing the ionic conductivity can uniform the distribution of both Li-ion and stress in the whole composite NCM cathode, realizing improved electrochemical performance with larger normalized capacity and lower the interfacial impendence. Hence, high-adequate ionic conductivity of 5 × 10−4 S cm−1 and soft mechanical property of E=∼2 GPa can be proposed as the guideline of SE for great electrochemical performance with prolongated lifespan of composite NCM cathode, paving an avenue to foster the application of SSBs.
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| 3. |
- Jiao, Xingxing, et al.
(författare)
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Morphology evolution of electrodeposited lithium on metal substrates
- 2023
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Ingår i: Energy Storage Materials. - 2405-8297. ; 61
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Tidskriftsartikel (refereegranskat)abstract
- Lithium (Li) metal is deemed to be the high-energy-density anode material for next generation batteries, but its practical application is impeded by the uneven electrodeposition during charge of battery, which leads to the low Coulombic efficiency and potential safety issue. Here, multiscale modeling is fabricated to understand the morphology evolution of Li during electrodeposition process, from the self-diffusion of Li adatoms on electrode surface, to the nucleation process, and to the formation of Li microstructures, revealing the correlation between final morphology and deposition substrates. Energy batteries and self-diffusion of Li adatom on various substrates (lithium, copper, nickel, magnesium, and silver) result in the different nucleation size, which is calculated by kinetic Monte Carlo simulation based on classical nucleation theory. Formation of Li substructures that are grown from Li nuclei, is revealed by phase field modeling coupled with cellular automaton method. Our results show that larger Li nuclei is obtained under faster self-diffusion of Li adatom, leading to the low aspect ratio of Li substructures and the subsequent morphology evolution of electrodeposited Li. Furthermore, the electrodeposition of Li is strongly regulated by the selection of substrates, giving the practical guideline of anode design in rechargeable Li metal batteries. It is worthy to mention that this method to investigate the electro-crystallization process involving nucleation and growth can be transplanted to the other metallic anode, such as sodium, potassium, zinc, magnesium, calcium and the like.
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| 4. |
- Jiao, Xingxing, et al.
(författare)
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Multi-Physical Field Simulation: A Powerful Tool for Accelerating Exploration of High-Energy-Density Rechargeable Lithium Batteries
- 2023
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Ingår i: Advanced Energy Materials. - 1614-6840 .- 1614-6832. ; In Press
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Forskningsöversikt (refereegranskat)abstract
- To meet the booming demand of high-energy-density battery systems for modern power applications, various prototypes of rechargeable batteries, especially lithium metal batteries with ultrahigh theoretical capacity, have been intensively explored, which are intimated with new chemistries, novel materials and rationally designed configurations. What happens inside the batteries is associated with the interaction of multi-physical field, rather than the result of the evolution of a single physical field, such as concentration field, electric field, stress field, morphological evolution, etc. In this review, multi-physical field simulation with a relatively wide length and timescale is focused as formidable tool to deepen the insight of electrodeposition mechanism of Li metal and the electro-chemo-mechanical failure of solid-state electrolytes based on Butler-Volmer electrochemical kinetics and solid mechanics, which can promote the future development of state-of-the-art Li metal batteries with satisfied energy density as well as lifespan.
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| 5. |
- Liu, Yangyang, et al.
(författare)
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Role of Interfacial Defects on Electro–Chemo–Mechanical Failure of Solid-State Electrolyte
- 2023
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Ingår i: Advanced Materials. - 0935-9648 .- 1521-4095. ; 35:24
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Tidskriftsartikel (refereegranskat)abstract
- High-stress field generated by electroplating of lithium (Li) in pre-existing defects is the main reason for mechanical failure of solid-state electrolyte because it drives crack propagation in electrolyte, followed by Li filament growth inside and even internal short-circuit if the filament reaches another electrode. To understand the role of interfacial defects on mechanical failure of solid-state electrolyte, an electro–chemo–mechanical model is built to visualize distribution of stress, relative damage, and crack formation during electrochemical plating of Li in defects. Geometry of interfacial defect is found as dominating factor for concentration of local stress field while semi-sphere defect delivers less accumulation of damage at initial stage and the longest failure time for disintegration of electrolyte. Aspect ratio, as a key geometric parameter of defect, is investigated to reveal its impact on failure of electrolyte. Pyramidic defect with low aspect ratio of 0.2–0.5 shows branched region of damage near interface, probably causing surface pulverization of solid-state electrolyte, whereas high aspect ratio over 3.0 will trigger accumulation of damage in bulk electrolyte. The correction between interfacial defect and electro–chemo–mechanical failure of solid-state electrolyte is expected to provide insightful guidelines for interface design in high-power-density solid-state Li metal batteries.
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| 6. |
- Xiong, Shizhao, 1985, et al.
(författare)
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Mechanical Failure of Solid-State Electrolyte Rooted in Synergy of Interfacial and Internal Defects
- 2023
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Ingår i: Advanced Energy Materials. - : Wiley. - 1614-6840 .- 1614-6832. ; 13:14
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Tidskriftsartikel (refereegranskat)abstract
- The mechanical failure of solid-state electrolytes induced by the growth of the lithium metal anode hinders the development of solid-state Li metal batteries with good safety and high energy density, and thus the understanding of the failure mechanism is of high importance for the application of solid-state lithium-metal batteries. Herein, a modified electro-chemo-mechanical model is built to bridge the dynamic relationship between the mechanical failure of solid-state electrolytes and the electrodeposition of lithium metal. The results, visualize evolution of local stress fields and the corresponding relative damage, and indicate that the generation of damage inside the solid-state electrolyte is rooted in a synergy of interfacial and internal defects. Compression by electrodeposited lithium inside interfacial defects and further transmission of stress inward in the electrolyte causes catastrophic damage, which is determined by the geometry of interfacial defects. Moreover, the internal defects of the solid-state electrolyte from sintering can influence the pathway of damage and work as the inner fountainhead for further damage propagation, and as such, the position and amount of the internal voids exhibit a more competitive role in the mechanical failure of solid-state electrolyte. Thus, the synergetic failure mechanism of solid-state electrolytes raised in this work provides a modeling framework to design effective strategies for state-of-the-art solid-state lithium-metal batteries.
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