scholarly journals Realistic Ion Dynamics through Charge Renormalization in Nonaqueous Electrolytes

2020 ◽  
Vol 124 (15) ◽  
pp. 3214-3220 ◽  
Author(s):  
Zhixia Li ◽  
Lily A. Robertson ◽  
Ilya A. Shkrob ◽  
Kyle C. Smith ◽  
Lei Cheng ◽  
...  
Keyword(s):  
Ion Dynamics ◽  
Nonaqueous Electrolytes ◽  
Charge Renormalization

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
Sign in / Sign up

Export Citation Format

Share Document