Electrochemical N₂ Reduction to Ammonia Using Single Au/Fe Atoms Supported on Nitrogen-Doped Porous Carbon.

ABSTRACT: The electrochemical nitrogen reduction reaction (NRR) to ammonia (NH₃) is a promising alternative route for an NH₃ synthesis at ambient conditions to the conventional high temperature and pressure Haber-Bosch process without the need for hydrogen gas. Single metal ions or atoms are attractive candidates for the catalytic activation of non-reactive nitrogen (N₂), and for future targeted improvement of NRR catalysts, it is of utmost importance to get detailed insights into structure-performance relationships and mechanisms of N₂ activation in such structures. Here, we report density functional theory studies on the NRR catalyzed by single Au and Fe atoms supported in graphitic C₂N materials. Our results show that the metal atoms present

SUBMITTER: Sahoo SK 

PROVIDER: S-EPMC7592340 | biostudies-literature | 2020 Oct

REPOSITORIES: biostudies-literature