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Oxygen Evolution Reaction Activity of Sr2Ta2O7and Sr2Nb2O7Surfaces
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DOI：10.1021/acs.jpcc.2c00649.png)
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Oxide materials with a perovskite-derived layeredstructure often show better photocatalytic performance compared tononlayered materials of similar composition. Here we investigate thecatalytic activity for the oxygen evolution reaction (OER) onsurfaces of the layered Carpy-Galy oxides Sr2Ta2O7and Sr2Nb2O7.Wefind that the (010) surface parallel to the layering shear plane isnot relevant for photocatalysis. The (100) surface perpendicular tothis plane, on the other hand, can catalyze the OER, at least forSr2Ta2O7, whereas Sr2Nb2O7is inactive for the OER without acocatalyst, both in agreement with experiment. The OER activity ofSr2Ta2O7(100) is, however, only retained while the surface does not assume a reconstructed stepped structure via Sr dissolutionwhich we predict to be thermodynamically favored. Engineering Sr2Ta2O7into long-lasting photoelectrodes thus has to focus onexposing (100) facets as well as preventing Sr dissolution, for example, via a high Sr concentration in the electrolyte.
Keyword:
CRYSTAL-STRUCTURE
WATER
PREDICTION
POINTS
H-2
期刊
IF:
3.2
论文数:
5.6W
被引数:
15.0W
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