Single-site Co-anchored α- In2Se3 with enhanced and polarization-dependent hydrogen and oxygen evolution activity

Electroreduction of water into hydrogen holds promise to deal with growing environmental pollution and energy crisis, but it relies on efficient catalysts for both hydrogen/oxygen evolution reaction, that normally contain precious metal. Here, based on first principles calculations, we identify Co-anchored α-In2Se3 as a bifunctional catalyst that can operate for both hydrogen/oxygen evolution reaction. The chemical activity can be largely enhanced or optimized by electrostatic potential due to the polarization, even better than traditional one containing precious metal. Both hydrogen/oxygen evolution reaction are dependent on polarization direction of α-In2Se3 and could occur on different polarization domains separately of α-In2Se3, that providing a way for future design of bifunctional catalysts without precious metals based on two-dimensional ferroelectric substrate.