scholarly journals First-Principles Prediction of the Electrochemical Stability and Reaction Mechanisms of Solid-State Electrolytes

JACS Au ◽  
2021 ◽  
Author(s):  
Tammo K. Schwietert ◽  
Alexandros Vasileiadis ◽  
Marnix Wagemaker
Keyword(s):  
Solid State ◽  
First Principles ◽  
Reaction Mechanisms ◽  
Electrochemical Stability ◽  
Solid State Electrolytes

Atomistic insights into the screening and role of oxygen in enhancing the Li+ conductivity of Li7P3S11−xOx solid-state electrolytes

2019 ◽  
Vol 21 (48) ◽  
pp. 26358-26367
Author(s):  
Hanghui Liu ◽  
Zhenhua Yang ◽  
Qun Wang ◽  
Xianyou Wang ◽  
Xingqiang Shi
Keyword(s):  
Solid State ◽  
Ionic Conductivity ◽  
Electrochemical Stability ◽  
Oxygen Doping ◽  
Solid State Electrolyte ◽  
Solid State Electrolytes

A solid-state electrolyte (L7P3S10.25O0.75) with good ionic conductivity and electrochemical stability is successfully designed by oxygen doping.

Formulation of Li-Metal-Halide (LMX) Solid State Electrolytes through Extensive First Principles Modelling

2021 ◽  
Author(s):  
Yuran Yu ◽  
Zhuo Wang ◽  
Guosheng Shao
Keyword(s):  
Solid State ◽  
First Principles ◽  
High Performance ◽  
Lithium Metal ◽  
Metal Halides ◽  
Oxidation Potentials ◽  
High Oxidation ◽  
Solid State Batteries ◽  
All Solid State Batteries ◽  
Solid State Electrolytes

Lithium-metal-halides (LMX) are getting more and more attractive as a potential class of solid-state electrolytes (SSE) to enable high-performance all solid-state batteries (ASSBs), owing to their high oxidation potentials, good...

First-principles Formulation of Spinel-like Structured Li(4-3x)YxCl4 as Promising Solid-State Electrolytes to Enable Superb Lithium Ion Conductivity and Matching Oxidation Potentials to High-voltage Cathodes

2021 ◽  
Author(s):  
Yuanyuan Huang ◽  
Yuran Yu ◽  
Hongjie Xu ◽  
Xiangdan Zhang ◽  
Zhuo Wang ◽  
...  
Keyword(s):  
Solid State ◽  
High Voltage ◽  
First Principles ◽  
Lithium Ion ◽  
Oxidation Potentials ◽  
High Oxidation ◽  
Solid State Batteries ◽  
All Solid State Batteries ◽  
Lithium Ion Conductivity ◽  
Solid State Electrolytes

The Halide solid-state electrolytes (SSEs) have attracted great attention as potential electrolyte for all solid-state batteries (ASSBs) owing to their high oxidation potentials, excellent ductility, and good resilience to humidity....

scholarly journals Comparison of computational methods for the electrochemical stability window of solid-state electrolyte materials

2020 ◽  
Vol 8 (3) ◽  
pp. 1347-1359 ◽  
Author(s):  
Tobias Binninger ◽  
Aris Marcolongo ◽  
Matthieu Mottet ◽  
Valéry Weber ◽  
Teodoro Laino
Keyword(s):  
Solid State ◽  
Computational Methods ◽  
Electrochemical Stability ◽  
Solid State Electrolyte ◽  
Electrochemical Stability Window ◽  
Solid State Electrolytes

Analysis and comparison of different methods to compute electrochemical stability of solid-state electrolytes reveals their inter-relation and applicability.

scholarly journals First-principles material modeling of solid-state electrolytes with the spinel structure

2014 ◽  
Vol 16 (11) ◽  
pp. 5399 ◽  
Author(s):  
Maarten J. Mees ◽  
Geoffrey Pourtois ◽  
Fabio Rosciano ◽  
Brecht Put ◽  
Philippe M. Vereecken ◽  
...  
Keyword(s):  
Solid State ◽  
First Principles ◽  
Spinel Structure ◽  
Material Modeling ◽  
Solid State Electrolytes

scholarly journals Hunting Sodium Dendrites in NASICON-Based Solid-State Electrolytes

2021 ◽  
Vol 2021 ◽  
pp. 1-10
Author(s):  
Qiangqiang Zhang ◽  
Yaxiang Lu ◽  
Weichang Guo ◽  
Yuanjun Shao ◽  
Lilu Liu ◽  
...  
Keyword(s):  
Solid State ◽  
Electrochemical Stability ◽  
Ceramic Surface ◽  
Metal Contacts ◽  
Practical Application ◽  
Sodium Batteries ◽  
Solid State Electrolytes ◽  
First Time ◽  
In Situ Carbonization

NASICON- (Na superionic conductor-) based solid-state electrolytes (SSEs) are believed to be attracting candidates for solid-state sodium batteries due to their high ionic conductivity and prospectively reliable stability. However, the poor interface compatibility and the formation of Na dendrites inhibit their practical application. Herein, we directly observed the propagation of Na dendrites through NASICON-based Na3.1Zr2Si2.1P0.9O12 SSE for the first time. Moreover, a fluorinated amorphous carbon (FAC) interfacial layer on the ceramic surface was simply developed by in situ carbonization of PVDF to improve the compatibility between Na metal and SSEs. Surprisingly, Na dendrites were effectively suppressed due to the formation of NaF in the interface when molten Na metal contacts with the FAC layer. Benefiting from the optimized interface, both the Na||Na symmetric cells and Na3V2(PO4)3||Na solid-state sodium batteries deliver remarkably electrochemical stability. These results offer benign reference to the maturation of NASICON-based solid-state sodium batteries.

Progress and perspectives on halide lithium conductors for all-solid-state lithium batteries

2020 ◽  
Vol 13 (5) ◽  
pp. 1429-1461 ◽  
Author(s):  
Xiaona Li ◽  
Jianwen Liang ◽  
Xiaofei Yang ◽  
Keegan R. Adair ◽  
Changhong Wang ◽  
...  
Keyword(s):  
Energy Storage ◽  
Solid State ◽  
Lithium Batteries ◽  
Electrochemical Stability ◽  
Superionic Conductors ◽  
Fundamental Understanding ◽  
Potential Applications ◽  
Synthesis Routes

This review focuses on fundamental understanding, various synthesis routes, chemical/electrochemical stability of halide-based lithium superionic conductors, and their potential applications in energy storage as well as related challenges.

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