Electrochemical Stability Window of Imidazolium-Based Ionic Liquids as Electrolytes for Lithium Batteries

2016 ◽  
Vol 120 (25) ◽  
pp. 5691-5702 ◽  
Author(s):  
Saeed Kazemiabnavi ◽  
Zhengcheng Zhang ◽  
Katsuyo Thornton ◽  
Soumik Banerjee
Keyword(s):  
Ionic Liquids ◽  
Lithium Batteries ◽  
Electrochemical Stability ◽  
Electrochemical Stability Window

scholarly journals Novel Li3ClO based glasses with superionic properties for lithium batteries

2014 ◽  
Vol 2 (15) ◽  
pp. 5470-5480 ◽  
Author(s):  
M. H. Braga ◽  
J. A. Ferreira ◽  
V. Stockhausen ◽  
J. E. Oliveira ◽  
A. El-Azab
Keyword(s):  
Ionic Conductivity ◽  
Lithium Batteries ◽  
Room Temperature ◽  
Electrochemical Stability ◽  
Glassy Electrolytes ◽  
Electrochemical Stability Window

Glassy electrolytes with superior ionic conductivity at room temperature, wide electrochemical stability window and impressive lifecycle in Li-metal cells were developed.

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.

scholarly journals Comparison of the Performances of Different Computational Methods to Calculate the Electrochemical Stability of Selected Ionic Liquids

Materials ◽  
2021 ◽  
Vol 14 (12) ◽  
pp. 3221
Author(s):  
Annalisa Paolone ◽  
Sergio Brutti
Keyword(s):  
Ionic Liquids ◽  
Density Functional ◽  
Quantitative Agreement ◽  
Electrochemical Stability ◽  
Functional Theory ◽  
Molecular Systems ◽  
Reduction Potentials ◽  
Adiabatic Transitions ◽  
Alkyl Ammonium ◽  
Transition Scheme

The electrochemical stability windows (ESW) of selected ionic liquids have been calculated by comparing different computational approaches previously suggested in the literature. The molecular systems under study are based on di-alkyl imidazolium and tetra-alkyl ammonium cations coupled with two different imide anions (namely, bis-fluorosulfonyl imide and bis-trifluoromethyl sulfonyl imide), for which an experimental investigation of the ESW is available. Thermodynamic oxidation and reduction potentials have here been estimated by different models based on calculations either on single ions or on ionic couples. Various Density Functional Theory (DFT) functionals (MP2, B3LYP, B3LYP including a polarizable medium and empirical dispersion forces) were exploited. Both vertical and adiabatic transitions between the starting states and the oxidized or reduced states were considered. The approach based on calculations on ionic couples is not able to reproduce the experimental data, whatever the used DFT functional. The best quantitative agreement is obtained by calculations on single ions when the MP2 functional in vacuum is considered and the transitions between differently charged states are vertical (purely electronic without the relaxation of the structure). The B3LYP functional underestimates the ESW. The inclusion of a polar medium excessively widens the ESW, while a large shrinkage of the ESW is obtained by adopting an adiabatic transition scheme instead of a vertical transition one.

Study of nanostructured ultra-refractory Tantalum-Hafnium-Carbide electrodes with wide electrochemical stability window

2021 ◽  
Vol 415 ◽  
pp. 128987
Author(s):  
Emerson Coy ◽  
Visnja Babacic ◽  
Luis Yate ◽  
Karol Załęski ◽  
Yeonho Kim ◽  
...  
Keyword(s):  
Electrochemical Stability ◽  
Hafnium Carbide ◽  
Electrochemical Stability Window

scholarly journals A Critical Review for an Accurate Electrochemical Stability Window Measurement of Solid Polymer and Composite Electrolytes

Materials ◽  
2021 ◽  
Vol 14 (14) ◽  
pp. 3840
Author(s):  
Adrien Méry ◽  
Steeve Rousselot ◽  
David Lepage ◽  
Mickaël Dollé
Keyword(s):  
Ionic Conductivity ◽  
Energy Density ◽  
High Performance ◽  
Mechanical Stability ◽  
Electrochemical Stability ◽  
Solid Polymer Electrolytes ◽  
Solid Polymer ◽  
Composite Electrolytes ◽  
Battery System ◽  
Electrochemical Stability Window

All-solid-state lithium batteries (ASSLB) are very promising for the future development of next generation lithium battery systems due to their increased energy density and improved safety. ASSLB employing Solid Polymer Electrolytes (SPE) and Solid Composite Electrolytes (SCE) in particular have attracted significant attention. Among the several expected requirements for a battery system (high ionic conductivity, safety, mechanical stability), increasing the energy density and the cycle life relies on the electrochemical stability window of the SPE or SCE. Most published works target the importance of ionic conductivity (undoubtedly a crucial parameter) and often identify the Electrochemical Stability Window (ESW) of the electrolyte as a secondary parameter. In this review, we first present a summary of recent publications on SPE and SCE with a particular focus on the analysis of their electrochemical stability. The goal of the second part is to propose a review of optimized and improved electrochemical methods, leading to a better understanding and a better evaluation of the ESW of the SPE and the SCE which is, once again, a critical parameter for high stability and high performance ASSLB applications.

AC Electrochemical Stability of Ionic Liquids

2011 ◽  
Vol 40 (12) ◽  
pp. 1423-1425 ◽  
Author(s):  
Fulong Yang ◽  
Zuopeng Li ◽  
Shiguo Zhang ◽  
Qinghua Zhang ◽  
Xiaodong Hu ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Electrochemical Stability

scholarly journals Performances of different DFT functionals to calculate the anodic limit of fluorinated sulphonyl-imide anions for lithium cells

2021 ◽  
Vol 2090 (1) ◽  
pp. 012078
Author(s):  
A Paolone ◽  
S Brutti
Keyword(s):  
Ionic Liquids ◽  
Lithium Batteries ◽  
Basis Set ◽  
Basis Sets ◽  
Computational Time ◽  
Generalized Gradient ◽  
Neutral Species ◽  
Generalized Gradient Approximation ◽  
Model Based ◽  
Computationally Expensive

Abstract In this paper we investigated the calculation of the anodic limit of two anions of ionic liquids, largely used as electrolyte of lithium batteries. Starting from a model based on calculations performed on single ions at the MP2 level of theory, we showed that the matching between calculation and experiments decreases while using more expanded basis set with respect to 6-31G**, possibly because of the destabilization of the neutral species when larger basis sets are considered. Additionally, in order to decrease the computational time, the performances for the calculation of the anodic limit obtained by means of a series of DFT functionals with increasing level of complexity (from the Generalized Gradient Approximation to the Range Separated Hybrid meta-Generalized Gradient Approximation) were compared. Overall, the best performing functionals are BMK, ωB97M-V and MN12-SX, while acceptable results can be obtained by M06-2X, M11, M08-HX and M11-L. Some less computationally expensive functionals, like CAM-B3LYP and ωB97X-D, also provide reasonable values of the anodic limit.

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