Revealing Atomic-Scale Ionic Stability and Transport around Grain
Boundaries of Garnet Li7La3Zr2O12 Solid Electrolyte

Gao, Bo; Jalem, Randy; Tian, Hong‐Kang; Tateyama, Yoshitaka

doi:10.21203/rs.3.rs-530094/v1

Cited by 6 publications

(10 citation statements)

References 59 publications

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“…The diffusion coefficient (4 × 10 −16 m 2 s −1 ) of ∑5 GB along the GB is 1000 times that (4 × 10 −19 m 2 s −1 ) through the GB. Very recently, an AIMD simulation also demonstrated the high diffusion coefficient at the ∑3 GB in LLZO by comparing the Li transport in bulk and at ∑1(110) and ∑3(112) 220 …”

Section: Transport Mechanismmentioning

confidence: 98%

Review on the lithium transport mechanism in solid‐state battery materials

Chen

Zhang

2022

WIREs Comput Mol Sci

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The growing demands to mitigate climate change and environmental degradation stimulate the rapid developments of rechargeable lithium (Li) battery technologies. Fast Li transports in battery materials are of essential significance to ensure superior Li dynamical stability and rate performance of batteries. Herein, the Li transport mechanisms in solid‐state battery materials (SSBMs) are comprehensively summarized. The collective diffusion mechanisms in solid electrolytes are elaborated, which are further understood from multiple perspectives including lattice dynamics, crystalline structure, and electronic structure. With the exponentially improving performance of computers, atomistic simulations have been playing an increasingly important role in revealing and understanding the Li transport in SSBMs, bridging the gap between experimental phenomena and theoretical models. Theoretical and experimental characterization methods for Li transports are discussed. The design strategies toward fast Li transports are classified. Finally, a perspective on the achievements and challenges of probing Li transports is provided. This article is categorized under: Structure and Mechanism > Computational Materials Science

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Section: Transport Mechanismmentioning

confidence: 98%

Review on the lithium transport mechanism in solid‐state battery materials

Chen

Zhang

2022

WIREs Comput Mol Sci

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“…LLZO maintained its irregular ceramic particle morphology after the coating process, with an average diameter of about 500 nm, consistent with the manufacturer‘s parameters; the binder fills the gaps of LLZO particles and is tightly coupled bonded to form a continuous and uninterrupted layer. This kind of ceramic layer could create effective physical isolation by solid‐state conduction and interrupt the shuttle effect of polysulfide ions, while it might not block the migration of lithium ions due to the fast transmission in LLZO for lithium ions [11b,c] . In the FE‐SEM images of cross‐sections (Figure 3c,d and S1c,d), the thickness of the coating layer could be obtained by the electron microscope scale.…”

Section: Resultsmentioning

confidence: 99%

Constructing Ion‐Selective Coating Layer with Lithium Ion Conductor LLZO and Binder Li‐Nafion for Separator Used in Lithium‐Sulfur Batteries

et al. 2022

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In the study of lithium‐sulfur batteries, the shuttle effect of polysulfide ions is widely regarded as the most critical factor in the battery performance deterioration. In this article, with the strategy of ion‐selection, a method of preparing a coating layer with solid‐phase conduction for a separator was used to suppress such an effect. The coating layer was based on calcined ceramic Li7La3Zr2O12 (LLZO) and formed through a simple coating method to be thin but dense. The gap between particles was filled with lithiated Nafion (Li‐Nafion) which could block polysulfide ions through coulombic interactions of sulfonate groups and allowed the lithium ion conduction. The properties of compactness and the ion‐selection formed a double barrier effect, manifested as the fact that the estimated lithium ion transport number achieved 0.79. Correspondingly, the lithium‐sulfur batteries assembled with the ion‐selective conduction separators had better lithium deposition behavior and exhibit brilliant cycling performances and capacity retention.

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“…Solid-state electrolytes offer beneficial solutions to certain battery operation problems but they also introduce their own unique operation challenges. Although it is generally believed that the inorganic solid-state electrolyte can inhibit dendrite growth, recent reports have found that the formation of dendrites is still observed in some solid-state batteries, which may be attributed to the high electronic conductivity of the solid-state electrolytes, and/or the high local ionic resistivity of the grain boundary. , Furthermore, the poor interfacial contact between the electrolyte and the electrode, ubiquitous in solid-state batteries, cannot be ignored. To obtain high-performance solid-state batteries, the chemical and mechanical compatibility between the solid-state electrolyte and the electrode materials must be optimized.…”

Section: Electrolytes In Organic Batteriesmentioning

confidence: 99%

Electrolytes in Organic Batteries

Hicks

Chen

et al. 2023

Chem. Rev.

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Organic batteries using redox-active polymers and small organic compounds have become promising candidates for next-generation energy storage devices due to the abundance, environmental benignity, and diverse nature of organic resources. To date, tremendous research efforts have been devoted to developing advanced organic electrode materials and understanding the material structure–performance correlation in organic batteries. In contrast, less attention was paid to the correlation between electrolyte structure and battery performance, despite the critical roles of electrolytes for the dissolution of organic electrode materials, the formation of the electrode–electrolyte interphase, and the solvation/desolvation of charge carriers. In this review, we discuss the prospects and challenges of organic batteries with an emphasis on electrolytes. The differences between organic and inorganic batteries in terms of electrolyte property requirements and charge storage mechanisms are elucidated. To provide a comprehensive and thorough overview of the electrolyte development in organic batteries, the electrolytes are divided into four categories including organic liquid electrolytes, aqueous electrolytes, inorganic solid electrolytes, and polymer-based electrolytes, to introduce different components, concentrations, additives, and applications in various organic batteries with different charge carriers, interphases, and separators. The perspectives and outlook for the future development of advanced electrolytes are also discussed to provide a guidance for the electrolyte design and optimization in organic batteries. We believe that this review will stimulate an in-depth study of electrolytes and accelerate the commercialization of organic batteries.

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Revealing Atomic-Scale Ionic Stability and Transport around Grain Boundaries of Garnet Li7La3Zr2O12 Solid Electrolyte

Cited by 6 publications

References 59 publications

Review on the lithium transport mechanism in solid‐state battery materials

Review on the lithium transport mechanism in solid‐state battery materials

Constructing Ion‐Selective Coating Layer with Lithium Ion Conductor LLZO and Binder Li‐Nafion for Separator Used in Lithium‐Sulfur Batteries

Electrolytes in Organic Batteries

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