Atomic modulation and phase engineering of MoS2 2 for boosting N2 2 reduction

Electrochemical nitrogen reduction reaction (ENRR) has emerged as a potential alternative to the conventional Haber-Bosch process for ammonia production. However, ENRR technology is still restricted by the limited Faradaic efficiency due to the hard-to-break N-N triple bond. Herein, inspired by the biomimetic catalyst, we developed a Fe-modulated MoS2 2 catalyst (named Fe@MoS2) 2 ) as an efficient ENRR catalyst. Raman spectra, coupled with the X-ray absorption spectroscopy, demonstrate the introduction of Fe into the MoS2 2 lattice and achieve partial 2H to 1T phase conversion. The presence of S-vacancies on MoS2 2 substrates was observed on scanning transmission electron microscopy images. Operando infrared absorption spectroscopy confirms that the constructed catalytic site significantly reduces barriers to nitrogen activation. The synthesized Fe@MoS2, 2 , with its superior geometric and electronic structures, exhibits a remarkable Faradaic efficiency of 19.7 +/- 5.5% at-0.2 V vs. Reversible Hydrogen Electrode and a high yield rate of 20.2 +/- 5.3 mu g h-1 mg-1 at-0.8 V vs. Reversible Hydrogen Electrode. Therefore, this work provides a fresh direction for designing novel catalysts, eventually boosting the nitrogen reduction reaction kinetics and accelerating the ENRR application.