Iron Oxychalcogenides and Their Photocurrent Responses.

Autor: Al Bacha S; Univ. Lille, CNRS, Centrale Lille, ENSCL, Univ. Artois, UMR 8181-UCCS-Unité de Catalyse et Chimie du Solide, F-59000 Lille, France.; University of Kent, School of Physical Sciences, Canterbury, Kent CT2 7NH, U.K.; Department of Physics, Durham University, Durham DH1 3LE, U.K., Saitzek S; Univ. Artois, CNRS, Centrale Lille, Univ. Lille, UMR 8181, Unité de Catalyse et Chimie du Solide (UCCS), F-62300 Lens, France., Kabbour H; Univ. Lille, CNRS, Centrale Lille, ENSCL, Univ. Artois, UMR 8181-UCCS-Unité de Catalyse et Chimie du Solide, F-59000 Lille, France., McCabe EE; Department of Physics, Durham University, Durham DH1 3LE, U.K.
Jazyk: angličtina
Zdroj: Inorganic chemistry [Inorg Chem] 2024 Feb 19; Vol. 63 (7), pp. 3292-3302. Date of Electronic Publication: 2024 Feb 02.
DOI: 10.1021/acs.inorgchem.3c03672
Abstrakt: We report here the results of an experimental investigation of the electronic properties and photocurrent responses of the CaFeO Q and La 2 O 2 Fe 2 O Q 2 phases and a computational study of the electronic structure of polar CaFeOSe. We find that both CaFeO Q ( Q = 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 2+ sites. The higher O/ Q ratio in the Fe 2+ 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.
Databáze: MEDLINE
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