Decoupling the impact of bulk and surface point defects on the photoelectrochemical properties of LaFeO₃ thin films

Abstract

and O 1s, establishing a link between the oxidation state of Fe and the covalency of the Fe-O bond. Electrochemical studies reveal the emergence of electronic states close to the valence band edge with decreasing bulk Fe content. DFT calculations confirm that Fe vacancies generate states located near the valence band, which act as hole-traps and recombination sites under illumination. Dynamic photocurrent responses associated with oxygen reduction and hydrogen evolution show that the stoichiometric La : Fe ratio provides the most photoactive oxide; however, this can only be achieved by independently tuning the bulk and surface compositions of the oxide.

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