Impact of Atomic Rearrangement and Single Atom Stabilization on MoSe @NiCo Se Heterostructure Catalyst for Efficient Overall Water Splitting.

High overpotentials required to cross the energy barriers of both hydrogen and oxygen evolution reactions (HER and OER) limit the overall efficiency of hydrogen production by electrolysis of water. The rational design of heterostructures and anchoring single-atom catalysts (SAC) are the two successful strategies to lower these overpotentials, but realization of such advanced nanostructures with adequate electronic control is challenging. Here, the heterostructure of edge-oriented molybdenum selenide (MoSe ) and nickel-cobalt-selenide (NiCo Se ) realized through selenization of mixed metal oxide/hydroxide is presented.