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

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dc.contributor.advisor van Rhee, T.
dc.contributor.author Bebeda, Avhapfani Wendy
dc.date.accessioned 2016-08-26T14:15:22Z
dc.date.available 2016-08-26T14:15:22Z
dc.date.issued 2015-02-19
dc.identifier.uri http://hdl.handle.net/11602/649
dc.description Department of Chemistry
dc.description.abstract 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. en_US
dc.language.iso en en_US
dc.subject Boronate en_US
dc.subject Conformation en_US
dc.subject Electrochemistry en_US
dc.subject Electrolyte en_US
dc.subject Lithium-ion battery en_US
dc.subject Lumo enegry en_US
dc.subject Organic additive en_US
dc.subject.lcsh Electrolytes
dc.subject.lcsh Ampholytes
dc.subject.lcsh Electrolytes solutions
dc.subject.lcsh Lithium cells
dc.subject.lcsh Lithium
dc.title Synthesis and properties of some electrolyte additives for lithium-ion batteries en_US
dc.type Dissertation en_US

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