Recent developments and progress of halogen elements in enhancing the performance of all-solid-state lithium metal batteries

He, Yanming; Chen, Weijian; Zhao, Yumeng; Li, Yafei; Lv, Chuanyang; Li, Huaxin; Yang, Jianguo; Gao, Zengliang; Luo, Jiayan

doi:10.1016/j.ensm.2022.03.043

Cited by 19 publications

(11 citation statements)

References 360 publications

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“…Moreover, compared to Li 10 GeP 2 S 12 that suffers from a continuous decomposition when contacting Li metal, [ 27 ] Li 6 PS 5 Cl has a metastable interface with lithium, but short circuit still happens in Li symmetric cells. [ 28,29 ] Various approaches have been adopted to enhance the dendrite inhibition capability of Li 6 PS 5 Cl, such as element doping, [ 30–32 ] Li surface modification, [ 33 ] and hierarchical structure design. [ 25 ] In the case of Li 5.5 PS 4.5 Cl 1.5 , most researches focused on its ion conducting mechanism, while the anodic stability was conducted comprehensively in only a few literatures.…”

Section: Introductionmentioning

confidence: 99%

Revealing the Impact of Cl Substitution on the Crystallization Behavior and Interfacial Stability of Superionic Lithium Argyrodites

Liu

Zhong

et al. 2022

Adv Funct Materials

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All-solid-state batteries are believed to be the next-generation energy storage device that can meet the ever-growing market demand for high energy density and safety. The ionic conductivity and electrochemical stability of the solid electrolyte are two crucial properties that can affect battery performance. Herein, with an optimized crystallization process, the Cl-rich argyrodite possesses high ionic conductivity, good dendrite inhibition capability, as well as enhanced interfacial stability against decomposition. Ab initio molecular dynamics simulation and radial distribution function analysis are utilized to probe into the interfacial phenomenon between argyrodite electrolyte and lithium metal. LiNi 0.8 Co 0.1 Mn 0.1 O 2 -based all-solid-state battery using the Cl-rich argyrodite electrolyte also delivers more stable cyclic performance. This study shows the multiple enhancements of argyrodite electrolyte brought by Cl doping, which provides important guidance in selecting electrolytes for all-solid-state batteries.

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Section: Introductionmentioning

confidence: 99%

Revealing the Impact of Cl Substitution on the Crystallization Behavior and Interfacial Stability of Superionic Lithium Argyrodites

Liu

Zhong

et al. 2022

Adv Funct Materials

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“…Moreover, the larger radius of halogen anions leads to longer ionic bonds and increased polarizability in the electrolytes, facilitating the migration and plasticity of Li + -ions. 91,105…”

Section: Introductionmentioning

confidence: 99%

A perspective on the building blocks of a solid-state battery: from solid electrolytes to quantum power harvesting and storage

Gomes,

Ribeiro Moutinho,

Braga

2024

J. Mater. Chem. A

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“…Due to their high ionic conductivity and good oxidation stability in recent years, halide solid-state electrolytes (HSSEs) have attracted much attention as potential solid electrolytes. – Compared to divalent anions (sulfur/oxygen), halogen anions have the following three characteristics: (1) in an equal ion transport channel, the Coulomb force between monovalent halogen anions and lithium ions is weaker than that between divalent sulfur/oxygen anions; (2) the ionic radii of halogen anions (Cl – = 167 pm, Br – = 182 pm, I – = 202 pm) are relatively larger than those of sulfur/oxygen anions (O 2– = 126 pm and S 2– = 170 pm); (3) halide anions (especially F – and Cl – ) have higher electrochemical oxidation–reduction potentials than sulfur/oxygen anions. Therefore, it is very likely that halide electrolyte materials have different design criteria from oxides or sulfides, and at the same time, more superior halide electrolyte materials in terms of ionic conductivity and stability may be designed/selected compared to sulfur/oxygen-containing materials. , …”

Section: Introductionmentioning

confidence: 99%

Motif-Based Exploration of Halide Classes of Li₅M1_0.5M2_0.5X₈ Conductors Using the DFT Method: Toward High Li-Ion Conductivity and Improved Stability

Li,

Dong,

Zhang

2023

ACS Appl. Mater. Interfaces

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The development of all-solid-state lithium-ion batteries (ASSLIBs) is highly dependent on solid-state electrolyte (SSEs) performance. However, current SSEs cannot satisfactorily meet the requirements for high interfacial stability and Li-ion conductivity, especially under high-voltage cycling conditions. To overcome the intractable problems, we theoretically develop the chemistry of structural units to build a series of MX6-unit mixed framework Li5M10.5M20.5X8 (total 184 halides) for use as SSEs and recommend six halide candidates that combine the (electro)chemical stability with a low Li-ion migration barrier. Among them, three Li5M10.5M20.5F8 compounds (M1 = Ca and Mg; M2 = Ti and Zr) exhibit expansive electrochemical windows with a high cathodic limit (6.3 V vs μLi) and three-dimensional Li diffusion associated with moderate Li-migration barriers. To discuss their stability and compatibility (and in turn as a reference for experiments), the energy above the convex hull, the electrochemical stability window, the predicted (electro)reaction products, and the calculated reaction energies of Li5M10.5M20.5X8 in combination with Li–metal and several cathodes are tabulated. We stress that the importance of the cation-mixed effect and specific moieties for the halide anion leads to a design principle for a halide class of Li-ion SSEs. We provide insight into selecting the optimal halide anion and cations and open a new avenue of broad compositional spaces for stable Li-ion SSEs.

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Recent developments and progress of halogen elements in enhancing the performance of all-solid-state lithium metal batteries

Cited by 19 publications

References 360 publications

Revealing the Impact of Cl Substitution on the Crystallization Behavior and Interfacial Stability of Superionic Lithium Argyrodites

Revealing the Impact of Cl Substitution on the Crystallization Behavior and Interfacial Stability of Superionic Lithium Argyrodites

A perspective on the building blocks of a solid-state battery: from solid electrolytes to quantum power harvesting and storage

Motif-Based Exploration of Halide Classes of Li₅M1_0.5M2_0.5X₈ Conductors Using the DFT Method: Toward High Li-Ion Conductivity and Improved Stability

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Recent developments and progress of halogen elements in enhancing the performance of all-solid-state lithium metal batteries

Cited by 19 publications

References 360 publications

Revealing the Impact of Cl Substitution on the Crystallization Behavior and Interfacial Stability of Superionic Lithium Argyrodites

Revealing the Impact of Cl Substitution on the Crystallization Behavior and Interfacial Stability of Superionic Lithium Argyrodites

A perspective on the building blocks of a solid-state battery: from solid electrolytes to quantum power harvesting and storage

Motif-Based Exploration of Halide Classes of Li5M10.5M20.5X8 Conductors Using the DFT Method: Toward High Li-Ion Conductivity and Improved Stability

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Motif-Based Exploration of Halide Classes of Li₅M1_0.5M2_0.5X₈ Conductors Using the DFT Method: Toward High Li-Ion Conductivity and Improved Stability