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

Abstract 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.