Synthesis and properties of some electrolyte additives for lithium-ion batteries

As an alternative energy source, lithium ion batteries have become increasingly important with a wide range of applications in industry, and many international companies are investing in this big project. This study was aimed at the development of safer lithium-ion power sources by using new organic additives to overcome the possible safety problems. In this study, the conformations and energies of several synthesized boronates were investigated through computational study using density functional theory (DFT) with the Becke’s three-parameter hybrid method utilizing the Lee-Young-Parr correlation functional (B3LYP). After initial energy optimization using Møller-Plesset Perturbation theory (MP2), the conformational preferences and energetics in vacuo were investigated using DFT calculations and the 6-31G(d,p) basis set. Subsequently, cyclic voltammetry and electrochemical impedance spectroscopy were used to characterize the compounds in terms of their usefulness as electrolyte additives. At least two of these show excellent promise for use in lithium-ion batteries.

Author dc:creator

• Bebeda, Avhapfani Wendy

Advisor dc:contributor.advisor

• van Rhee, T.

• Boronate
• Conformation
• Electrochemistry
• Electrolyte
• Lithium-ion battery
• Lumo enegry
• Organic additive
• UCTD

Language dc:language.iso

en

Handle dc:identifier.uri

http://hdl.handle.net/11602/649

OAI identifier oai:identifier

oai:univendspace.univen.ac.za:11602/649