Tailoring Electronic Structure of Copper Twin Boundaries Toward Highly Efficient Nitrogen Reduction Reaction

) of -0.27 V among 25 considered TMs. Moreover, the Re-Cu(111)-TBE could effectively suppress the competing hydrogen evolution reaction even under working potentials. This work has provided a deep understanding of TB in catalysis from an electronic structure point of view, paving a way for further studies of TB into advanced utilization.