Issue 14, 2014

CO2 reduction at low overpotential on Cu electrodes in the presence of impurities at the subsurface

Abstract

We report a theoretical analysis of the Cu electrode, modified by O impurities at the subsurface, concerning the electrochemical activity of the CO2 reduction reaction and selectivity between CO and HCOOH evolution. On the basis of quantum mechanical simulations, we propose a novel Cu electrode modified by C impurities at the subsurface for CO2 electroreduction, which has a better catalytic selectivity.

Graphical abstract: CO2 reduction at low overpotential on Cu electrodes in the presence of impurities at the subsurface

Article information

Article type
Communication
Submitted
18 Nov 2013
Accepted
21 Jan 2014
First published
22 Jan 2014

J. Mater. Chem. A, 2014,2, 4885-4889

Author version available

CO2 reduction at low overpotential on Cu electrodes in the presence of impurities at the subsurface

J. Xiao, A. Kuc, T. Frauenheim and T. Heine, J. Mater. Chem. A, 2014, 2, 4885 DOI: 10.1039/C3TA14755J

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