Abstract:H2 production through water electrolysis is a promising strategy for storing sunlight energy. For the oxygen evolution reaction, iridium oxide containing materials are state-of-the-art due to their stability in acidic conditions. Moreover, precious metal content can be reduced by using small nanoparticles that show high catalytic activities. We performed DFT calculations on a 1.2 nm large IrO2 Wulff-like stoichiometric nanoparticle model (IrO2) with the aim of determining the factors controlling the catalytic … Show more
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