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

Dong Hee Lim, Jun Ho Jo, Dong Yun Shin, Jennifer Wilcox, Hyung Chul Ham, Suk Woo Nam

    Research output: Contribution to journalArticlepeer-review

    160 Citations (Scopus)

    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 CO 2 conversion into hydrocarbon fuels may allow for geometry flexibility upon interaction with a key intermediate of CHO*. This journal is

    Original languageEnglish
    Pages (from-to)5087-5092
    Number of pages6
    JournalNanoscale
    Volume6
    Issue number10
    DOIs
    Publication statusPublished - 2014 May 21

    ASJC Scopus subject areas

    • General Materials Science

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