Breaking the Barrier: How Alkali Cations Promote Enhanced N<sub>2</sub> Adsorption and *NNH Formation

Alkali metal cations and hydronium ions significantly modulate the reaction pathways and kinetics of the nitrogen reduction reaction (NRR) at the electrode–electrolyte interface, but it lacks atomic-level insights. Herein, by employing constant potential <i>ab initio</i> molecular dynami...

Full description

Saved in:
Bibliographic Details
Main Author: Deewan S. Teja (20938508) (author)
Other Authors: Bhabani S. Mallik (4509040) (author)
Published: 2025
Subjects:
Tags: Add Tag
No Tags, Be the first to tag this record!