Moiré metal for catalysis

Abstract

The search for highly efficient and low-cost catalysts based on earth abundant elements is one of the main driving forces in organic and inorganic chemistry. In this work, we introduce the concept of moiré metal for hydrogen evolution reaction (HER). Using twisted ${\mathrm{NbS}}_2$ as an example, we show that the spatially varying interlayer coupling leads to a corresponding variation of Gibbs free energy for hydrogen absorption at different sites on the moiré superlattice. Remarkably, as a HER catalyst, twisted ${\mathrm{NbS}}_2$ is shown to cover the thermoneutral volcano peak, exceeding the efficiency of the current record platinum. The richness of local chemical environment in moiré structures provides a versatile method for designing superior catalysts.