Lithium-Ion Model Behavior in an Ethylene Carbonate Electrolyte Using Molecular Dynamics
Author:
Affiliation:
1. Department of Chemical Engineering, ‡Department of Electrical and Computer Engineering, and §Department of Materials Science and Engineering, Texas A&M University, College Station, Texas 77843, United States
Funder
Vehicle Technologies Program
Qatar National Research Fund
Publisher
American Chemical Society (ACS)
Subject
Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.6b03709
Reference65 articles.
1. Molecular dynamics simulation and X—ray diffraction studies of ethylene carbonate, propylene carbonate and dimethyl carbonate in liquid phase
2. Direct Calculation of Li-Ion Transport in the Solid Electrolyte Interphase
3. First-Principles Analysis of Defect Thermodynamics and Ion Transport in Inorganic SEI Compounds: LiF and NaF
4. A Surface Hopping View of Electrochemistry: Non-Equilibrium Electronic Transport through an Ionic Solution with a Classical Master Equation
5. Ion Transport through Ultrathin Electrolyte under Applied Voltages
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