Issue 10, 2014

Carbon dioxide conversion into hydrocarbon fuels on defective graphene-supported Cu nanoparticles from first principles

Abstract

Density functional theory studies demonstrate that defective graphene-supported Cu nanoparticles can modify the structural and electronic properties of copper for enhancing electrochemical reduction of carbon dioxide (CO2) into hydrocarbon fuels (CH4, CO, and HCOOH). We not only provide improved understanding of CO2 conversion mechanisms on both Cu and the Cu nanoparticle system, but also explain a key factor for enhanced CO2 conversion. A promising catalytic material for CO2 conversion into hydrocarbon fuels may allow for geometry flexibility upon interaction with a key intermediate of CHO*.

Graphical abstract: Carbon dioxide conversion into hydrocarbon fuels on defective graphene-supported Cu nanoparticles from first principles

Supplementary files

Article information

Article type
Communication
Submitted
10 Dec 2013
Accepted
19 Feb 2014
First published
20 Feb 2014

Nanoscale, 2014,6, 5087-5092

Author version available

Carbon dioxide conversion into hydrocarbon fuels on defective graphene-supported Cu nanoparticles from first principles

D. Lim, J. H. Jo, D. Y. Shin, J. Wilcox, H. C. Ham and S. W. Nam, Nanoscale, 2014, 6, 5087 DOI: 10.1039/C3NR06539A

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