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

doi:10.1039/c3nr06539a

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

GREEN SCHOOL (Graduate School of Energy and Environment)

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

128 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 language	English
Pages (from-to)	5087-5092
Number of pages	6
Journal	Nanoscale
Volume	6
Issue number	10
DOIs	https://doi.org/10.1039/c3nr06539a
Publication status	Published - 2014 May 21

ASJC Scopus subject areas

Materials Science(all)

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AU - Ham, Hyung Chul

AU - Nam, Suk Woo

PY - 2014/5/21

Y1 - 2014/5/21

N2 - 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

AB - 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

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

Abstract

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