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Iron Oxychalcogenides and Their Photocurrent Responses.

Al Bacha, Sandy; Saitzek, Sébastien; Kabbour, Houria; McCabe, Emma E.

Iron Oxychalcogenides and Their Photocurrent Responses. Thumbnail


Sandy Al Bacha

Sébastien Saitzek

Houria Kabbour


We report here the results of an experimental investigation of the electronic properties and photocurrent responses of the CaFeO and La O Fe O 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. The photocurrent CaFeOSe shows fast electron-hole separation, consistent with calculated carrier effective masses. These results suggest that these iron oxychalcogenides warrant further study to optimize their stability and morphology for photocatalytic and other photoactive applications.


Al Bacha, S., Saitzek, S., Kabbour, H., & McCabe, E. E. (2024). Iron Oxychalcogenides and Their Photocurrent Responses. Inorganic Chemistry, 63(7), 3292 - 3302.

Journal Article Type Article
Acceptance Date Jan 15, 2024
Online Publication Date Feb 2, 2024
Publication Date Feb 2, 2024
Deposit Date Jan 16, 2024
Publicly Available Date Feb 7, 2024
Journal Inorganic Chemistry
Print ISSN 0020-1669
Publisher American Chemical Society
Peer Reviewed Peer Reviewed
Volume 63
Issue 7
Pages 3292 - 3302
Public URL


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