We show for the first time how to tune the band gap by changing the ions in a layered material. The indirect band gap (Egi) can be tuned from 2.3 eV to 2.6 eV by changing the cations in the interlayer. Additionally, the direct band gap (Eg) can be changed from 2.6 eV to 3.0 eV. This study shows a new strategy for tuning the band gap of layered materials with the possibility of serving as well as catalyst, resembling photosynthesis.

Layered manganese oxide as a bifuntional material for capturing sunlight and catalyzing water splitting: Theory and simulation

248th National Meeting (2014)

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