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 Maijs 2020
Accepted
30 Jūn. 2020
First published
30 Jūn. 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

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements