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Updated: Mar 19, 2026

Synthesis and Performance Evaluations of ZnCoS/ZnCdS with Twin Crystal Structure for Multifunctional Redox Photocatalysis in Energy Applications
Published on: July 25, 2025
Synergy between experimental and computational approaches to homogeneous photoredox catalysis
Taye B Demissie1, Jørn H Hansen2
1Centre for Theoretical and Computational Chemistry, UiT The Arctic University of Norway, N-9037 Tromsø, Norway.
Abstract:
In this Frontiers article, we highlight how state-of-the-art density functional theory calculations can contribute to the field of homogeneous photoredox catalysis. We discuss challenges in the fields and potential solutions to be found at the interface between theory and experiment. The exciting opportunities and insights that can arise through such an interdisciplinary approach are highlighted.
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