Issue 27, 2020

Heteroatom-doped C3N as a promising metal-free catalyst for a high-efficiency carbon dioxide reduction reaction

Abstract

Converting CO2 into useful fuels and chemicals offers a promising strategy for mitigating the issues of energy crisis and global warming. However, it is still a fundamental challenge to find highly efficient catalysts for the CO2 electrochemical reduction (CO2ER) reaction. In this work, the catalytic performance of heteroatom (B, P, Si, and S)-doped C3N materials as metal-free CO2ER electrocatalysts was investigated by means of density functional theory (DFT) calculations. The results reveal that these heteroatom-doped C3N materials exhibit high stability. On the basis of the calculated Gibbs free energies, BN-doped C3N exhibits superior CO2ER catalytic activity for CO2 reduction to HCOOH with a low overpotential of 0.14 V vs. RHE. The present work demonstrates the promising potential of BN-doped C3N as an active and selective CO2ER catalyst, and provides an effective strategy for electrochemical applications.

Graphical abstract: Heteroatom-doped C3N as a promising metal-free catalyst for a high-efficiency carbon dioxide reduction reaction

Supplementary files

Article information

Article type
Paper
Submitted
07 May 2020
Accepted
15 Jun 2020
First published
19 Jun 2020

New J. Chem., 2020,44, 11824-11828

Heteroatom-doped C3N as a promising metal-free catalyst for a high-efficiency carbon dioxide reduction reaction

T. Zhao, Y. Tian, L. Yan and Z. Su, New J. Chem., 2020, 44, 11824 DOI: 10.1039/D0NJ02318C

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