MoS2 quantum dots for electrocatalytic N2 reduction.

We demonstrate that MoS2 quantum dots (QDs) can be an effective and durable catalyst for the electrocatalytic N2 reduction reaction (NRR), showing an NH3 yield of 39.6 μg h-1 mg-1 with a faradaic efficiency of 12.9% at -0.3 V, far superior to MoS2 nanosheets and outperforming most reported NRR catalysts. Density functional theory computations unravel that the MoS2 QDs can dramatically facilitate N2 adsorption and activation via side-on patterns, resulting in an energetically-favored enzymatic pathway with an ultra-low overpotential of 0.29 V.