Jump to main content
Jump to site search
Access to RSC content Close the message box

Continue to access RSC content when you are not at your institution. Follow our step-by-step guide.



Design of a Graphene Nitrene Two-Dimensional Catalyst Providing a Well-Defined Site Accommodating Up to Three Metals, with Application to N2 Reduction Electrocatalysis

Abstract

We consider here a novel two-dimensional catalyst M3-C2N that we apply to electrocatalytic N2 reduction. Using the PBE-D3 flavor of density functional theory (DFT), we studied 12 choices for the M3 metal clusters to find two cases: Rh3-C2N and heteronuclear Co2Mo-C2N that are particularly promising for electrocatalytic reduction of N2.

Back to tab navigation

Supplementary files

Article information


Submitted
27 May 2020
Accepted
30 Jun 2020
First published
30 Jun 2020

Chem. Commun., 2020, Accepted Manuscript
Article type
Communication

Design of a Graphene Nitrene Two-Dimensional Catalyst Providing a Well-Defined Site Accommodating Up to Three Metals, with Application to N2 Reduction Electrocatalysis

L. Li and L. Xu, Chem. Commun., 2020, Accepted Manuscript , DOI: 10.1039/D0CC03723K

Social activity

Search articles by author

Spotlight

Advertisements