MoS2 quantum dots for electrocatalytic N2 reduction

We demonstrate that MoS2 quantum dots (QDs) can be an effective and durable catalyst for the electrocatalytic N-2 reduction reaction (NRR), showing an NH3 yield of 39.6 mu g 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 N-2 adsorption and activation via side-on patterns, resulting in an energetically-favored enzymatic pathway with an ultra-low overpotential of 0.29 V.

Automated summary

The study demonstrates that MoS2 quantum dots are an effective and durable catalyst for the electrocatalytic N-2 reduction reaction, with a high NH3 yield and faradaic efficiency. Computational analyses reveal that MoS2 QDs significantly facilitate N-2 adsorption and activation through side-on patterns, leading to an energetically-favored enzymatic pathway with ultra-low overpotential.