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Theoretical characterization and optimization of transition metal...

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Titel Theoretical characterization and optimization of transition metal synthetic catalysts for water oxidation
Looptijd 07 / 2010 - 05 / 2011
Status Afgesloten
Onderzoeknummer OND1340502
Leverancier gegevens NWO

Samenvatting (EN)

A critical reaction step in photosynthesis is water splitting occurring in Nature in photosystem II. New metallo-oxo compounds have been synthesized which are able to perform the same reactions. By using state-of-the-art first-principles computational methods we want to understand at a microscopic level the catalytic activity of these compounds with the long term aim of finding ways to improve the efficiency of man-made catalysts.

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Projectleider Dr. F. Buda

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