scholarly journals Correlating Li-Ion Solvation Structures and Electrode Potential Temperature Coefficients

2021 ◽  
Vol 143 (5) ◽  
pp. 2264-2271
Author(s):  
Hansen Wang ◽  
Sang Cheol Kim ◽  
Tomás Rojas ◽  
Yangying Zhu ◽  
Yanbin Li ◽  
...  
Keyword(s):  
Electrode Potential ◽  
Potential Temperature ◽  
Ion Solvation ◽  
Temperature Coefficients ◽  
Li Ion

Temperature coefficients of Li-ion battery single electrode potentials and related entropy changes – revisited

2019 ◽  
Vol 21 (4) ◽  
pp. 2115-2120
Author(s):  
A. Swiderska-Mocek ◽  
E. Rudnicka ◽  
A. Lewandowski
Keyword(s):  
Thermal Diffusion ◽  
Electrode Potential ◽  
Potential Temperature ◽  
Diffusion Potential ◽  
Li Ion Battery ◽  
Temperature Coefficients ◽  
Entropy Changes ◽  
Electrode Potentials ◽  
Li Ion

Here, single electrode potential temperature coefficients were estimated using negligible thermal diffusion potential assumption.

Investigation of Li-Ion Solvation in Carbonate Based Electrolytes Using Near Ambient Pressure Photoemission

2016 ◽  
Vol 59 (5-7) ◽  
pp. 628-634 ◽  
Author(s):  
Mario El Kazzi ◽  
Izabela Czekaj ◽  
Erik J. Berg ◽  
Petr Novák ◽  
Matthew A. Brown
Keyword(s):  
Ambient Pressure ◽  
Ion Solvation ◽  
Li Ion

scholarly journals Machine Learning Solvation Environments in Conductive Polymers: Application to ProDOT-2Hex with Solvent Swelling

2020 ◽  
Author(s):  
Ioan-Bogdan Magdau ◽  
Thomas Miller
Keyword(s):  
Machine Learning ◽  
Molecular Mechanisms ◽  
Ion Solvation ◽  
Automated Identification ◽  
Chemical Systems ◽  
Machine Learning Approach ◽  
Rapid Diversification ◽  
Li Ion ◽  
Phase Systems

<div>Automated identification and classification of ion solvation sites in diverse chemical systems will improve the understanding and design of polymer electrolytes for battery applications. We introduce a machine learning approach to classify and characterize ion solvation environments based on feature vectors extracted from all-atom simulations. This approach is demonstrated in poly(3,4-propylenedioxythiophene), which is a promising candidate polymer binder for Li-ion batteries. In the dry polymer, four</div><div>distinct Li+ solvation environments are identified close to the backbone of the polymer. Upon swelling of the polymer with propylene carbonate solvent, the nature of Li+ solvation changes dramatically, featuring a rapid diversification</div><div>of solvation environments. This application of machine learning can be generalized to other polymer condensed-phase systems to elucidate the molecular mechanisms underlying ion solvation.</div>

Dual‐Solvent Li‐Ion Solvation Enables High‐Performance Li‐Metal Batteries

2021 ◽  
pp. 2008619
Author(s):  
Hansen Wang ◽  
Zhiao Yu ◽  
Xian Kong ◽  
William Huang ◽  
Zewen Zhang ◽  
...  
Keyword(s):  
High Performance ◽  
Ion Solvation ◽  
Li Ion
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