Computational Photocatalysis


Computational Photocatalysis

Author(s): Stephan Kupfer

Publication: Bunsen-Magazin 2023, 6, 200-202

Publisher: Deutsche Bunsen-Gesellschaft für physikalische Chemie e.V., Frankfurt

Language: English

DOI: 10.26125/gh3j-zz79

Abstract: Solar energy conversion is among the most promising approaches to transform our energy sector towards sustainability. In this context, we aim to elucidate structure-property relationships in molecular photocatalysis, i.e., in the frame of solar fuels production using computational modelling. We elucidate light-driven processes in such molecular systems and strive to develop theory-driven design concepts, with respect to competitive excited state energy and electron transfer cascades.

Cite this: S. Kupfer, Bunsen-Magazin 2023, 6, 200-202, DOI: 10.26125/gh3j-zz79

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