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 journalArticle

74 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

  • Materials Science(all)

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