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The Role of Surface States in the Oxygen Evolution Reaction on Hematite

Beniamino Iandolo (Institutionen för teknisk fysik, Kemisk fysik) ; Anders Hellman (Institutionen för teknisk fysik, Kemisk fysik)
Angewandte Chemie-International Edition (1433-7851). Vol. 53 (2014), 49, p. 13404-13408.
[Artikel, refereegranskad vetenskaplig]

Hematite (alpha-Fe2O3) is an extensively investigated semiconductor for photoelectrochemical (PEC) water splitting. The nature and role of surface states on the oxygen evolution reaction (OER) remain however elusive. First-principles calculations were used to investigate surface states on hematite under photoelectrochemical conditions. The density of states for two relevant hematite terminations was calculated, and in both cases the presence and the role of surface states was rationalized. Calculations also predicted a Nerstian dependence on the OER onset potential on pH, which was to a very good extent confirmed by PEC measurements on hematite model photoanodes. Impedance spectroscopy characterization confirmed that the OER takes place via the same surface states irrespective of pH. These results provide a framework for a deeper understanding of the OER when it takes place via surface states.

Nyckelord: energy conversion, hematite, photoelectrochemistry, surface states, water splitting

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Denna post skapades 2014-12-30. Senast ändrad 2015-03-30.
CPL Pubid: 209216


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