Event Title

Isomerization Reaction Coordinate Study of Solar Thermal Fuel Systems Using Density Functional Theory (DFT)

Research Mentor(s)

Tim Kowalczyk

Description

Solar Thermal Fuels (STFs) are able to capture solar energy by molecular isomerization. Their ability to transfer energy without the release of carbon dioxide motivates the study of system candidates. Utilizing ground-state density functional theory (DFT), this study characterizes the isomerization reaction coordinate of recently developed hydrazone systems. Future work will explore their photoisomerization quantum yield, absorbance frequencies and energy storage densities.

Document Type

Event

Start Date

May 2018

End Date

May 2018

Location

Chemistry

Rights

Copying of this document in whole or in part is allowable only for scholarly purposes. It is understood, however, that any copying or publication of this document for commercial purposes, or for financial gain, shall not be allowed without the author’s written permission.

Language

English

Format

application/pdf

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Isomerization Reaction Coordinate Study of Solar Thermal Fuel Systems Using Density Functional Theory (DFT)

Chemistry

Solar Thermal Fuels (STFs) are able to capture solar energy by molecular isomerization. Their ability to transfer energy without the release of carbon dioxide motivates the study of system candidates. Utilizing ground-state density functional theory (DFT), this study characterizes the isomerization reaction coordinate of recently developed hydrazone systems. Future work will explore their photoisomerization quantum yield, absorbance frequencies and energy storage densities.