Journal
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY B-BIOLOGICAL SCIENCES
Volume 363, Issue 1494, Pages 1167-1177Publisher
ROYAL SOC
DOI: 10.1098/rstb.2007.2212
Keywords
photosystem II; oxygen evolution; manganese cluster; EPR/ENDOR; EXAFS; density functional theory
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Funding
- NIGMS NIH HHS [GM 55302, R56 GM055302, R01 GM055302] Funding Source: Medline
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Nature invented a catalyst about 3 Gyr ago, which splits water with high efficiency into molecular oxygen and hydrogen equivalents (protons and electrons). This reaction is energetically driven by sunlight and the active centre contains relatively cheap and abundant metals: manganese and calcium. This biological system therefore forms the paradigm for all man-made attempts for direct solar fuel production, and several studies are underway to determine the electronic and geometric structures of this catalyst. In this report we briefly summarize the problems and the current status of these efforts and propose a density functional theory-based strategy for obtaining a reliable high-resolution structure of this unique catalyst that includes both the inorganic core and the first ligand sphere.
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