The spinel cobalt oxide Co3O4 has emerged as a promising candidate for use as anode material in electrochemical water splitting. However, recent in-situ Raman spectroscopy studies have shown that Co3O4 electrodes undergo progressive oxidation and transform into oxyhydroxide, CoO(OH), under electrochemical working conditions. Using first principle electronic structure calculations, we provide insight into these findings by presenting results on the structural, thermodynamic, and electronic properties of cobalt oxide Co3O4, cobalt hydroxide Co(OH)2, and cobalt oxydroxide CoO(OH), and on their relative stabilities when in contact with water under external voltage. A study of the OER on the relevant compounds will be also presented.

Cobalt oxide electrodes for water oxidation: Insights from first principles calculations

246th National Meeting (2013)

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