Abstract

Research Article

Environmental Effects on the Norbornadiene-quadricyclane Photoswitch for Molecular Solar Thermal Energy Storage

Christian Danø and Kurt V Mikkelsen*

Published: 29 December, 2023 | Volume 6 - Issue 2 | Pages: 203-215

Today’s need for renewable energy combined with modern societies' reliability on on-demand power leads us to find solutions that can store excess or produce directly to storage for later use. A MOlecular Solar Thermal (MOST) based on norbornadiene/quadricyclane(NBD/QC) does the latter with an isomeric photoswitching molecule pair. The theoretical studies of molecular solar thermals (MOST) provide a needed understanding of potential synthetic candidates. We have investigated an array of more complex solvation models for the norbornadiene/quadricycle (NBD/QC) photoswitch and the impacts of the models on the first absorption energy. Our results have been obtained with various density functional theoretical methods and basis sets.

Read Full Article HTML DOI: 10.29328/journal.ijpra.1001074 Cite this Article Read Full Article PDF

Keywords:

Electrocyclic reactions; Molecular photoswitch; Molecular thermoswitch; Energy storage

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