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

Jianping Xiao; Agnieszka Kuc; Thomas Frauenheim; Thomas Heine

doi:10.1039/c3ta14755j

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

Jianping Xiao, Agnieszka Kuc, Thomas Frauenheim, Thomas Heine

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

14 Citations (Scopus)

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. This journal is

Original language	English
Pages (from-to)	4885-4889
Number of pages	5
Journal	Journal of Materials Chemistry A
Volume	2
Issue number	14
DOIs	https://doi.org/10.1039/c3ta14755j
Publication status	Published - 2014 Apr 14

All Science Journal Classification (ASJC) codes

Chemistry(all)
Renewable Energy, Sustainability and the Environment
Materials Science(all)

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

Access to Document

10.1039/c3ta14755j

Cite this

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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. This journal is",

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AU - Frauenheim, Thomas

AU - Heine, Thomas

PY - 2014/4/14

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