In‐Situ‐Generated MoO2 on MoS2/ZnO Heterostructures with Enriched S,O‐Vacancies for Enhanced Electrocatalytic Reduction of N2 to NH3

Electrocatalytic nitrogen reduction reaction (NRR) is a green method for synthesis ammonia under mild condition compared to energy‐intensive Haber‐Bosch process. Herein, a novel heterojunction material (MMZ‐900) is prepared as an excellent electrocatalyst for NRR at 900 °C, which is composed of MoS2, MoO2 and ZnO with nonuniform charge distribution of rich S and O vacancies. As a result, MMZ‐900 exhibits about 8 times higher Faradaic efficiency and 5 times higher NH3 yields for NRR than pure MoS2, respectively. These new insights may open up opportunities for exploiting efficient NRR electrocatalysts by simultaneously improving sulfur and oxygen vacancies on heterojunction material. Electrocatalyst for Nitrogen Reduction Reaction: In this paper, we report a heterojunction material (MMZ‐900) with sulfur and oxygen vacancies‐rich and and uneven charge distribution. The heterojunction material is the MoS2 in MoS2/ZnO partially transformed into MoO2 during thermal processing, and it is a good electrocatalyst for NRR. These new insights may open up opportunities for exploiting efficient NRR electrocatalysts.