Optimizing Solar Cell Performance via Synthetic Modification of Steric Hindrance in Organic Carbazole-Based Dyes

Author

Mallory RobertsFollow

Date of Award

5-2025

Document Type

Undergraduate Thesis

Department

Chemistry and Biochemistry

First Advisor

Jared Delcamp

Second Advisor

Ryan Fortenberry

Third Advisor

Saumen Chakraborty

Relational Format

Dissertation/Thesis

Abstract

Sterically induced twist angle in carbazole-based dyes has been proven to significantly increase charge separated lifetime, thereby reducing the rate of back electron transfer (BET) and improving the overall performance of dye sensitized solar cells (DSCs). A series of carbazole dyes, CC10-CC12, is synthesized that probe increasing sterics and their effect on reducing BET, finding that the ideal steric hinderance is one methyl group, CC10. These sterics are computationally shown to cause increased excited state twist angle, which is responsible for impeding the back electron transfer reaction. Additionally, the dyes are shown to have optimal energetics for electron transfer with both TiO₂ and [Co(bpy)₃]²⁺, two important components of standard DSCs. Based on these findings, novel dye MR1 is designed, combining optimal sterics with high-performance dyes known in literature. This dye, when synthesized, has the potential to significantly increase DSC efficiency by effectively reducing pathways that negatively impact DSC performance while also containing high performance components.

Recommended Citation

Roberts, Mallory, "Optimizing Solar Cell Performance via Synthetic Modification of Steric Hindrance in Organic Carbazole-Based Dyes" (2025). Honors Theses. 3286.
https://egrove.olemiss.edu/hon_thesis/3286

Creative Commons License

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