Issue 63, 2020

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: homonuclear Rh3-C2N and heteronuclear Co2Mo-C2N that are particularly promising for electrocatalytic reduction of N2.

Graphical abstract: Design of a graphene nitrene two-dimensional catalyst providing a well-defined site accommodating up to three metals, with application to N2 reduction electrocatalysis

Supplementary files

Article information

Article type
Communication
Submitted
27 May 2020
Accepted
30 Jun 2020
First published
30 Jun 2020

Chem. Commun., 2020,56, 8960-8963

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, 56, 8960 DOI: 10.1039/D0CC03723K

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