Modulating d-orbital occupancy via a coupled interfacial-local electric field for electrocatalytic N2 fixation

The electrocatalytic nitrogen reduction reaction (ENRR) offers a sustainable and cost-effective strategy for ammonia (NH3) synthesis. However, the broad applicability of ENRR is currently limited by challenges in the adsorption and activation of N2 at the catalyst interface. Addressing these issues, we have developed an innovative approach that constructs an interfacial electric field, coupled with an atomically local electric field induced by W-N bonds. This coupled interfacial-local electric field effectively elevates the dz2 occupancy of W active sites, thereby significantly enhancing the adsorption and activation of N2. This work provides profound insights into the relationship between the interfacial-local electric field and the efficient execution of ENRR, paving the way for future explorations and potential breakthroughs within catalytic field.