Isomerization Reaction Coordinate Study of Solar Thermal Fuel Systems UsingDensity Functional Theory (DFT)
Research Mentor(s)
Kowalczyk, Tim
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
16-5-2018 12:00 AM
End Date
16-5-2018 12:00 AM
Department
Chemistry
Genre/Form
student projects, posters
Subjects – Topical (LCSH)
Global warming--Management; Carbon dioxide mitigation; Solar energy--Technological innovations
Type
Image
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
Isomerization Reaction Coordinate Study of Solar Thermal Fuel Systems UsingDensity Functional Theory (DFT)
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.