Non-toxic, earth abundant nanostructured semiconductors have received extensive attention recently. One of the more highly studied materials has been iron pyrite (FeS2) due to its many different promising applications. Herein, we report the thermodynamically-controlled synthesis of FeS2 nanocrystals, dependent on the reaction temperature and chemical precursors, and a Lewis acid/base model to explain the shape-controlled synthesis. The surface facet-controlled photocatalytic activity and photostability were studied and explained. This work further advances the synthesis with pyrite structure control and surface facet-dictated applications, such as photovoltaics, photocatalysts and photoelectrochemical cells.
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