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Issue 10, 2014
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Carbon dioxide conversion into hydrocarbon fuels on defective graphene-supported Cu nanoparticles from first principles

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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

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Publication details

The article was received on 10 Dec 2013, accepted on 19 Feb 2014 and first published on 20 Feb 2014


Article type: Communication
DOI: 10.1039/C3NR06539A
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Citation: Nanoscale, 2014,6, 5087-5092
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    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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