Author ORCID Identifier

https://orcid.org/0000-0002-2349-7094

Year of Publication

2020

Degree Name

Master of Science (MS)

Document Type

Master's Thesis

College

Arts and Sciences

Department

Chemistry

First Advisor

Dr. Susan Odom

Abstract

In screening active materials for redox flow batteries (RFBs) – in which solubility is important to raise the volumetric energy density – scientists are slave to trial and error, modifying organic molecules in an attempt to optimize (increase) solubility without compromising other important properties such as stability and redox potential. A trained chemist can often predict the trends of solubility with the structural modifications in the neutral state of the materials, but when it’s come to the charged state of the materials, it doesn’t follow the same trend as the neutral species and relative values are hard to predict. The solubility of a wide variety of phenothiazine derivatives – in both relevant states of charge (neutral and radical cation) – in a nonaqueous electrolyte is measured using an NMR solubility technique. To predict the solubility trends, different experimental and computational parameters can be incorporated.

The volumetric energy density of the RFB also depends on the cell voltage. Compared to phenothiazine derivative carbazole derivatives have higher oxidation potentials, hence higher cell voltages can be achieved. Therefore, different structural modifications on carbazole core were studied to enhance other important properties such as solubility, stability, and electrochemical reversibility, under the non-aqueous electrolyte environments.

Digital Object Identifier (DOI)

https://doi.org/10.13023/etd.2020.373

Funding Information

Funding for this research was provided by, National Science Foundation Engineering: Chemical, Bioengineering, Environmental, and Transport Systems (Award Number: 1805103), from May 2019 to August 2020.

This research was supported by Department of Energy Basic Energy Science - Joint Center for Energy Storage Research 2.0, from May 2019 to August 2020

Available for download on Monday, August 29, 2022

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