Tunable ferroelectric single-atom catalysis of CO oxidation using a Pt/In2Se3 monolayer

Abstract

Catalysts with single-atom dispersions can not only minimize material usage but also exhibit fascinating activity. However, their superior catalytic properties can hardly be manipulated without a suitable substrate. Here, based on first principles calculations, we predicted that ferroelectric monolayer In₂Se₃ could be used as an appropriate substrate for Pt single-atom catalysts with strong binding energy and negative clustering energy. The Pt/In₂Se₃ catalyst showed extremely high activity for CO oxidation. Moreover, the catalytic performance can be well regulated by ferroelectric switch of monolayer In₂Se₃.