| 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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Crumpled Nitrogen-Doped Graphene-Wrapped Phosphorus Composite as a Promising Anode for Lithium-Ion Batteries
- 2019
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Ingår i: ACS Applied Materials & Interfaces. - : American Chemical Society (ACS). - 1944-8252 .- 1944-8244. ; 11:34, s. 30858-30864
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Tidskriftsartikel (refereegranskat)abstract
- Red phosphorus (P) has recently gained wide attention because of the high theoretical capacity of 2596 mA h/g, which has been regarded as promising anode material for lithium-ion batteries (LIBs). However, the actual application of red P in LIBs is hampered by the huge expansion of volume and low electronic conductivity. Herein, we design a kind of red phosphorus/crumpled nitrogen-doped graphene (P/CNG) nanocomposites with high capacity density and great rate performance as anode material for LIBs. This anode material was rationally fabricated through the scalable ball-milling method. The nanocomposite structure of P/CNG improves the electron conductivity and alleviates volume change of raw red P because of the three-dimension (3D) framework, massive defects and active sites of CNG sheets. As expected, the P/CNG composite shows excellent electrochemical performances, including high capacity (2522.6 mA h/g at 130 mA/g), remarkable rate capability (1340.5 mA h/g at 3900 mA/g), and great cyclability (1470.1 mA h/g at 1300 mA/g for 300 cycles). This work may provide a broad prospect for a great rate performance of P-based anode material for LIBs.
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| 3. |
- Jiao, Xingxing, et al.
(författare)
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Electro-chemo-mechanical failure of solid-state electrolyte caused from intergranular or transgranular damage propagation in polycrystalline aggregates
- 2024
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Ingår i: Acta Materialia. - 1359-6454. ; 265
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Tidskriftsartikel (refereegranskat)abstract
- Electro-chemo-mechanical failure of solid-state electrolytes (SEs) caused by the internal growth of lithium dendrites significantly impedes the application of solid-state batteries under high applied current density. The grain boundary is usually the key to the mechanical properties of polycrystalline ceramic SEs. Here, strength and width of grain boundary in SEs that are exampled by garnet-type Li7La3Zr2O12 are evaluated under the deposition of lithium by visualizing the stress field, damage accumulation and crack propagation. The enhancement of grain boundary strength triggers a dramatic increase stress when the ratio of tensile strength between grain boundary and grain (λ) is lower than 0.9. With the variation of λ, three damage processes are revealed as intergranular-damage, inter/transgranular-damage and transgranular-damage, leading to different propagation of cracks and the transformation of intergranular failure to transgranular failure. Furthermore, the width of the grain boundary is found to induce more transgranular-damage with its widening. A critical value of grain boundary width for the formation of displacement is obtained under various strengths, as δ = 21 nm for λ = 0.2, δ = 25 nm for λ = 0.5 and δ = 31 nm for λ = 0.9. The findings in this work indicate the coupling effect of grain boundary width and strength on the failure of SEs, providing an insightful perspective for the future design of solid-state batteries.
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| 4. |
- Jiao, Xingxing, et al.
(författare)
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Grain size and grain boundary strength: Dominative role in electro-chemo-mechanical failure of polycrystalline solid-state electrolytes
- 2024
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Ingår i: Energy Storage Materials. - 2405-8297. ; 65
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Tidskriftsartikel (refereegranskat)abstract
- Solid-state batteries with lithium metal anode have been accepted extensively as the competitive option to fulfill the upping requirement for safe and efficient energy devices. Nevertheless, its wide-ranging application has been impeded by the failure of solid-state electrolyte (SSE) induced by development of lithium (Li) filament. Based on the nature of polycrystalline ceramic SSE with varying grain size and boundary strength, the constitutive equation coupled with electrochemical kinetics was applied to picture the propagation of damage and corresponding disintegration caused by the development of Li filament. Based on the results, we found that the stress generated along with the growth of Li filament spreads away via the opening and sliding of grain boundary. Thus, damage occurs along grain boundaries, of which propagation behavior and damage level are controlled by grain size. Especially, over-refinement and under-refinement of grains of SSE can cause flocculent damage with inordinate damage degree and accelerate the failure time of SSE, respectively. On the other hand, the failure time is powerfully prolongated through strengthening the grain boundary of SSE. Eventually, grain size of 0.2 μm and tensile strength of grain boundary of 0.8-time-of-grain are posted as the threshold to realize the postponed failure of NASICON-based SSE. Inspiringly, electro-chemo-mechanical model in this contribution is generally applicable to other type of ceramic SSE to reveal the failure process and provide the design guideline, fostering the improvement of solid-state batteries.
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| 5. |
- Jiao, Xingxing, et al.
(författare)
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Highly Energy-Dissipative, Fast Self-Healing Binder for Stable Si Anode in Lithium-Ion Batteries
- 2021
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Ingår i: Advanced Functional Materials. - : Wiley. - 1616-3028 .- 1616-301X. ; 31:3
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Tidskriftsartikel (refereegranskat)abstract
- A double-wrapped binder has been rationally designed with high Young's modulus polyacrylic acid (PAA) inside and low Young's modulus bifunctional polyurethane (BFPU) outside to address the large inner stress of silicon anode with drastic volume changes during cycling. Harnessing the "hard to soft" gradient distribution strategy, the rigid PAA acts as a protective layer to dissipate the inner stress first during lithiation, while the elastic binder BFPU serves as a buffer layer to disperse residual stress, and thus avoids structural damage of rigid PAA. Moreover, the introduction of BFPU with fast self-healing ability can dynamically recover the microcracks arising from large stress, further ensuring the integrity of silicon anode. This multifunctional binder with smart design of double-wrapped structure provides enlightenment on enlarging the cycling life of high-energy-density lithium-ion batteries that suffer enormous volume change during the cycling process.
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| 6. |
- 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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| 7. |
- 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
-
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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| 8. |
- 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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| 9. |
- Jiao, Xingxing, et al.
(författare)
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Viability of all-solid-state lithium metal battery coupled with oxide solid-state electrolyte and high-capacity cathode
- 2024
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Ingår i: Journal of Energy Chemistry. - 2095-4956. ; 91, s. 122-131
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Tidskriftsartikel (refereegranskat)abstract
- Owing to the utilization of lithium metal as anode with the ultrahigh theoretical capacity density of 3860 mA h g−1 and oxide-based ceramic solid-state electrolytes (SE), e.g., garnet-type Li7La3Zr2O12 (LLZO), all-state-state lithium metal batteries (ASLMBs) have been widely accepted as the promising alternatives for providing the satisfactory energy density and safety. However, its applications are still challenged by plenty of technical and scientific issues. In this contribution, the co-sintering temperature at 500 °C is proved as a compromise method to fabricate the composite cathode with structural integrity and declined capacity fading of LiNi0.5Co0.2Mn0.3O2 (NCM). On the other hand, it tends to form weaker grain boundary (GB) inside polycrystalline LLZO at inadequate sintering temperature for LLZO, which can induce the intergranular failure of SE during the growth of Li filament inside the unavoidable defect on the interface of SE. Therefore, increasing the strength of GB, refining the grain to 0.4 μm, and precluding the interfacial defect are suggested to postpone the electro-chemo-mechanical failure of SE with weak GB. Moreover, the advanced sintering techniques to lower the co-sintering temperature for both NCM-LLZO composite cathode and LLZO SE can be posted out to realize the viability of state-of-the-art ASLMBs with higher energy density as well as the guaranteed safety.
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| 10. |
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| 11. |
- Liu, Qiao, et al.
(författare)
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Enhanced ionic conductivity and interface stability of hybrid solid-state polymer electrolyte for rechargeable lithium metal batteries
- 2019
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Ingår i: Energy Storage Materials. - : Elsevier BV. - 2405-8297. ; 23, s. 105-111
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Tidskriftsartikel (refereegranskat)abstract
- Compared to conventional organic liquid electrolyte, solid-state polymer electrolytes are extensively considered as an alternative candidate for next generation high-energy batteries because of their high safety, non-leakage and electrochemical stability with the metallic lithium (Li) anode. However, solid-state polymer electrolytes generally show low ionic conductivity and high interfacial impedance to electrodes. Here we report a hybrid solid-state electrolyte, presenting an ultra-high ionic conductivity of 3.27 mS cm −1 at room temperature, a wide electrochemical stability window of 4.9 V, and non-flammability. This electrolyte consists of a polymer blend matrix (polyethylene oxide and poly (vinylidene fluoride-co-hexafluoropropylene)), Li + conductive ceramic filler (Li 1.5 Al 0.5 Ge 1.5 (PO 4 ) 3 ) and a solvate ionic liquid (LiFSI in tetra ethylene glycol dimethyl ether, 1:1 in molar ratio) as plasticizer. The introduction of the solvate ionic liquid to the solid-state electrolyte not only improves its ionic conductivity but also remarkably enhances the stability of the interface with Li anode. When applied in Li metal batteries, a Li|Li symmetric cell can operate stably over 800 h with a minimal polarization of 25 mV and a full Li|LiFePO 4 cell delivers a high specific capacity of 158 mAh g −1 after 100 cycles at room temperature.
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| 12. |
- Liu, Yangyang, et al.
(författare)
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Insight into the Critical Role of Exchange Current Density on Electrodeposition Behavior of Lithium Metal
- 2021
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Ingår i: Advanced Science. - : Wiley. - 2198-3844 .- 2198-3844. ; 8:5
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Tidskriftsartikel (refereegranskat)abstract
- Due to an ultrahigh theoretical specific capacity of 3860 mAh g−1, lithium (Li) is regarded as the ultimate anode for high-energy-density batteries. However, the practical application of Li metal anode is hindered by safety concerns and low Coulombic efficiency both of which are resulted fromunavoidable dendrite growth during electrodeposition. This study focuses on a critical parameter for electrodeposition, the exchange current density, which has attracted only little attention in research on Li metal batteries. A phase-field model is presented to show the effect of exchange current density on electrodeposition behavior of Li. The results show that a uniform distribution of cathodic current density, hence uniform electrodeposition, on electrode is obtained with lower exchange current density. Furthermore, it is demonstrated that lower exchange current density contributes to form a larger critical radius of nucleation in the initial electrocrystallization that results in a dense deposition of Li, which is a foundation for improved Coulombic efficiency and dendrite-free morphology. The findings not only pave the way to practical rechargeable Li metal batteries but can also be translated to the design of stable metal anodes, e.g., for sodium (Na), magnesium (Mg), and zinc (Zn) batteries.
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| 13. |
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| 14. |
- Liu, Yangyang, et al.
(författare)
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Promoted rate and cycling capability of Li–S batteries enabled by targeted selection of co-solvent for the electrolyte
- 2020
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Ingår i: Energy Storage Materials. - : Elsevier BV. - 2405-8297. ; 25, s. 131-136
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Tidskriftsartikel (refereegranskat)abstract
- Lithium sulfur (Li–S) batteries are considered as promising candidates for high-energy-density battery systems owing to the high theoretical capacity of sulfur (1675 mAh g−1) and low cost of raw materials. However, their practical application is hampered by low rate capability and rapid degradation of capacity, arising from the passivation of the cathode by lithium sulfides (Li2S2/Li2S) deposited during discharge and low interfacial stability of the Li anode. Herein, we report on a comprehensive strategy to select co-solvent to the electrolyte to regulate the deposition of lithium sulfides during charge-discharge process. We show that addition of a co-solvent with high solubility, and strong interaction with Li2S to a conventional electrolyte effectively mitigates the formation of a passivating layer on the sulfur cathode and dramatically improves the interfacial stability of the Li anode. We demonstrate that Sulfolane (SL) has these properties and that a Li–S cell with an electrolyte containing 6 vol% SL exhibits outstanding cyclic performance (0.083% decay per cycle) and rate capability (capacity density of 765 mAh g−1 at rate of 1.0C). Thus, we provide a facile strategy for the selection of co-solvent for improved performance of Li–S batteries, realizing their practical application for high-energy-density battery systems.
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| 15. |
- 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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| 16. |
- Liu, Yangyang, et al.
(författare)
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Stable Li metal anode by crystallographically oriented plating through in-situ surface doping
- 2020
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Ingår i: Science China Materials. - : Springer Science and Business Media LLC. - 2199-4501 .- 2095-8226. ; 63:6, s. 1036-1045
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Tidskriftsartikel (refereegranskat)abstract
- Lithium (Li) metal is regarded as the holy grail anode material for high-energy-density batteries owing to its ultrahigh theoretical specific capacity. However, its practical application is severely hindered by the high reactivity of metallic Li against the commonly used electrolytes and uncontrolled growth of mossy/dendritic Li. Different from widely-used approaches of optimization of the electrolyte and/or interfacial engineering, here, we report a strategy of in-situ cerium (Ce) doping of Li metal to promote the preferential plating along the [200] direction and remarkably decreased surface energy of metallic Li. The in-situ Ce-doped Li shows a significantly reduced reactivity towards a standard electrolyte and, uniform and dendrite-free morphology after plating/stripping, as demonstrated by spectroscopic, morphological and electrochemical characterizations. In symmetric half cells, the in-situ Ce-doped Li shows a low corrosion current density against the electrolyte and drastically improved cycling even at a lean electrolyte condition. Furthermore, we show that the stable Li LiCoO2 full cells with improved coulombic efficiency and cycle life are also achieved using the Ce-doped Li metal anode. This work provides an inspiring approach to bring Li metal towards practical application in high energy-density batteries.
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| 17. |
- 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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| 18. |
- Xu, Xieyu, et al.
(författare)
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Diffusion Limited Current Density: A Watershed in Electrodeposition of Lithium Metal Anode
- 2022
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Ingår i: Advanced Energy Materials. - : Wiley. - 1614-6840 .- 1614-6832. ; 12:19
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Tidskriftsartikel (refereegranskat)abstract
- Lithium metal is considered to be a promising anode material for high-energy-density rechargeable batteries because of its high theoretical capacity and low reduction potential. Nevertheless, the practical application of Li anodes is challenged by poor cyclic performance and potential safety hazards, which are attributed to non-uniform electrodeposition of Li metal during charging. Herein, diffusion limited current density (DLCD), one of the critical fundamental parameters that govern the electrochemical reaction process, is investigated as the threshold of current density for electrodeposition of Li. The visualization of the concentration field and distribution of Faradic current density reveal how uniform electrodeposition of Li metal anodes can be obtained when the applied current density is below the DLCD of the related electrochemical system. Moreover, the electrodeposition of Li metal within broken solid electrolyte interphases preferentially occurs at the crack spots that are caused by the non-uniform electrodeposition of Li metal. This post-electrodeposition leads to more consumption of active Li when the applied current density is greater than the DLCD. Therefore, lowering the applied current density or increasing the DLCD are proposed as directions for developing advanced strategies to realize uniform electrodeposition of Li metal and stable interfaces, aiming to accelerate the practical application of state-of-the-art Li metal batteries.
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| 19. |
- Zhang, Chaofan, et al.
(författare)
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In Situ Volume Change Studies of Lithium Metal Electrode under Different Pressure
- 2019
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Ingår i: Journal of the Electrochemical Society. - : The Electrochemical Society. - 1945-7111 .- 0013-4651. ; 166:15, s. A3675-A3678
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Tidskriftsartikel (refereegranskat)abstract
- Due to the high theoretical capacity density of 3680 mAh g(-1), lithium (Li) is considered as a promising anode for high-energy-density battery systems. However, its practical application is severely hampered by the invariable growth of Li dendrites and tremendous volume change during electrochemical plating-stripping process. Although real-time monitoring of the volume change is crucial for research and development of stable lithium anode, the studies are rare due to the lack of in-situ swelling equipment so far. Here, we report an in-situ volume change system to observe the thickness change of Li electrode at a resolution of micrometer during the electrochemical process. With a comprehensive design for this instrument, a continuously tunable pressure can be applied on the Li-Li symmetric cell to investigate the impact of pressure on the stability of Li electrode during cycling. We found that the higher pressure (similar to 850kPa) is beneficial for stabilizing Li electrode during plating/stripping process. Our results provide a perspective to investigate the electrochemical behavior of Li electrode. In addition, this instrument also shows great potential of in-situ volume change monitoring in other battery systems like silicon anode and solid-state batteries.
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