Investigation of Unusual Conductivity Behavior and Ion Dynamics in Hexamethylguanidinium Bis(fluorosulfonyl)imide-Based Electrolytes for Sodium Batteries

2021 ◽  
Author(s):  
Karolina Biernacka ◽  
Faezeh Makhlooghiazad ◽  
Ivan Popov ◽  
Haijin Zhu ◽  
Jean-Noël Chotard ◽  
...  
Keyword(s):  
Ion Dynamics ◽  
Sodium Batteries ◽  
Conductivity Behavior

Semiclassical electron-radiation-ion dynamics (SERID) and cis - trans photoisomerization of butadiene

2003 ◽  
Vol 50 (15-17) ◽  
pp. 2615-2643 ◽  
Author(s):  
Yusheng Dou ◽  
Ben R. Torralva ◽  
Roland E. Allen
Keyword(s):  
Electron Radiation ◽  
Ion Dynamics

Effect of High Salt Concentration on Ion Clustering and Transport in Polymer Solid Electrolytes: a Molecular Dynamics Study of PEO-LiTFSI

2018 ◽  
Author(s):  
Nicola Molinari ◽  
Jonathan P. Mailoa ◽  
Boris Kozinsky
Keyword(s):  
Polymer Electrolyte ◽  
Salt Concentration ◽  
Rational Design ◽  
Material System ◽  
Ion Dynamics ◽  
High Concentration ◽  
Anion Clusters ◽  
Poly Ethylene Oxide ◽  
Poly Ethylene

<div> <div> <div> <p>The model and analysis methods developed in this work are generally applicable to any polymer electrolyte/cation-anion combination, but we focus on the currently most prominent polymer electrolyte material system: poly(ethylene) oxide/Li- bis(trifluoromethane) sulfonamide (PEO + LiTFSI). The obtained results are surprising and challenge the conventional understanding of ionic transport in polymer electrolytes: the investigation of a technologically relevant salt concentration range (1 - 4 M) revealed the central role of the anion in coordinating and hindering Li ion movement. Our results provide insights into correlated ion dynamics, at the same time enabling rational design of better PEO-based electrolytes. In particular, we report the following novel observations. 1. Strong binding of the Li cation with the polymer competes with significant correlation of the cation with the salt anion. 2. The appearance of cation-anion clusters, especially at high concentration. 3. The asymmetry in the composition (and therefore charge) of such clusters; specifically, we find the tendency for clusters to have a higher number of anions than cations.</p> </div> </div> </div>

Effect of High Salt Concentration on Ion Clustering and Transport in Polymer Solid Electrolytes: a Molecular Dynamics Study of PEO-LiTFSI

2018 ◽  
Author(s):  
Nicola Molinari ◽  
Jonathan P. Mailoa ◽  
Boris Kozinsky
Keyword(s):  
Polymer Electrolyte ◽  
Salt Concentration ◽  
Rational Design ◽  
Material System ◽  
Ion Dynamics ◽  
High Concentration ◽  
Anion Clusters ◽  
Poly Ethylene Oxide ◽  
Poly Ethylene

<div> <div> <div> <p>The model and analysis methods developed in this work are generally applicable to any polymer electrolyte/cation-anion combination, but we focus on the currently most prominent polymer electrolyte material system: poly(ethylene) oxide/Li- bis(trifluoromethane) sulfonamide (PEO + LiTFSI). The obtained results are surprising and challenge the conventional understanding of ionic transport in polymer electrolytes: the investigation of a technologically relevant salt concentration range (1 - 4 M) revealed the central role of the anion in coordinating and hindering Li ion movement. Our results provide insights into correlated ion dynamics, at the same time enabling rational design of better PEO-based electrolytes. In particular, we report the following novel observations. 1. Strong binding of the Li cation with the polymer competes with significant correlation of the cation with the salt anion. 2. The appearance of cation-anion clusters, especially at high concentration. 3. The asymmetry in the composition (and therefore charge) of such clusters; specifically, we find the tendency for clusters to have a higher number of anions than cations.</p> </div> </div> </div>

Ion Dynamics in an Atmospheric Source with Photoionization by Radiation of Laser Plasma

2020 ◽  
Vol 65 (12) ◽  
pp. 1905-1911
Author(s):  
R. S. Ablizen ◽  
M. A. Monastyrskiy ◽  
M. G. Skoblin ◽  
A. V. Pento ◽  
A. B. Bukharina ◽  
...  
Keyword(s):  
Laser Plasma ◽  
Ion Dynamics

scholarly journals Conductor–Insulator Interfaces in Solid Electrolytes: A Design Strategy to Enhance Li-Ion Dynamics in Nanoconfined LiBH4/Al2O3

2021 ◽  
Author(s):  
Roman Zettl ◽  
Katharina Hogrefe ◽  
Bernhard Gadermaier ◽  
Ilie Hanzu ◽  
Peter Ngene ◽  
...  
Keyword(s):  
Solid Electrolytes ◽  
Design Strategy ◽  
Ion Dynamics ◽  
Li Ion

scholarly journals Monoclinic and Orthorhombic NaMnO2 for Secondary Batteries: A Comparative Study

Energies ◽  
2021 ◽  
Vol 14 (5) ◽  
pp. 1230
Author(s):  
Jessica Manzi ◽  
Annalisa Paolone ◽  
Oriele Palumbo ◽  
Domenico Corona ◽  
Arianna Massaro ◽  
...  
Keyword(s):  
Structural Parameters ◽  
Reversible Capacity ◽  
Beta Phase ◽  
X Ray Diffraction ◽  
Positive Electrodes ◽  
Detailed Structural Analysis ◽  
Physico Chemical ◽  
Sodium Batteries ◽  
The Impact ◽  
First Time

In this manuscript, we report a detailed physico-chemical comparison between the α- and β-polymorphs of the NaMnO2 compound, a promising material for application in positive electrodes for secondary aprotic sodium batteries. In particular, the structure and vibrational properties, as well as electrochemical performance in sodium batteries, are compared to highlight differences and similarities. We exploit both laboratory techniques (Raman spectroscopy, electrochemical methods) and synchrotron radiation experiments (Fast-Fourier Transform Infrared spectroscopy, and X-ray diffraction). Notably the vibrational spectra of these phases are here reported for the first time in the literature as well as the detailed structural analysis from diffraction data. DFT+U calculations predict both phases to have similar electronic features, with structural parameters consistent with the experimental counterparts. The experimental evidence of antisite defects in the beta-phase between sodium and manganese ions is noticeable. Both polymorphs have been also tested in aprotic batteries by comparing the impact of different liquid electrolytes on the ability to de-intercalated/intercalate sodium ions. Overall, the monoclinic α-NaMnO2 shows larger reversible capacity exceeding 175 mAhg−1 at 10 mAg−1.

scholarly journals Unraveling Gas Evolution in Sodium Batteries by Online Electrochemical Mass Spectrometry

2021 ◽  
Author(s):  
Leiting Zhang ◽  
Chrysi Tsolakidou ◽  
Sathiya Mariyappan ◽  
Jean-Marie Tarascon ◽  
Sigita Trabesinger
Keyword(s):  
Mass Spectrometry ◽  
Gas Evolution ◽  
Sodium Batteries
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