On the mechanism of water oxidation catalyzed by a dinuclear ruthenium complex: a quantum chemical study

Rong-Zhen Liao, Markus D. Kärkäs, Tanja M. Laine, Björn Åkermark, Per E. M. Siegbahn
2016 Catalysis science & technology  
The development of efficient and robust catalysts for water oxidation is an essential element in solar water splitting. In the present paper, the reaction mechanism for a dinuclear Ru water oxidation catalyst has been investigated in detail through quantum chemical calculations.
doi:10.1039/c6cy00083e fatcat:x4yay4xegvdi5ilvr7lyrj66r4