Iron Oxychalcogenides and Their Photocurrent Responses.

We report here the results of an experimental investigation of the electronic properties and photocurrent responses of the CaFeO and LaOFeO phases and a computational study of the electronic structure of polar CaFeOSe. We find that both CaFeO ( = S and Se) have band gaps and conduction band edge positions compatible with light-driven photocatalytic water splitting, although the oxysulfide suffers from degradation due to the oxidation of Fe sites. The higher O/ ratio in the Fe coordination environment in CaFeOSe increases its stability without increasing the band gap beyond the visible range.

Photocatalytic and Photocurrent Responses to Visible Light of the Lone-Pair-Based Oxysulfide SrCdSbSO.

We present a combined experimental and computational study on the recently reported oxysulfide SrCdSbSO. Our spectroscopy and photoelectrochemical measurements and tests for photocatalytic activity indicate the potential of SrCdSbSO for photocatalytic applications. In particular, the transient photocurrent response shows a reproducible photogenerated current which depends on light intensity and which indicates an efficient electron-hole separation upon visible light illumination.