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

Research output: Contribution to journal › Article › peer-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 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

General Materials Science

Access to Document

10.1039/c3nr06539a

Cite this

@article{a212c7c4d01f462e8ee5825ee453897c,

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

author = "Lim, \{Dong Hee\} and Jo, \{Jun Ho\} and Shin, \{Dong Yun\} and Jennifer Wilcox and Ham, \{Hyung Chul\} and Nam, \{Suk Woo\}",

year = "2014",

month = may,

day = "21",

doi = "10.1039/c3nr06539a",

language = "English",

volume = "6",

pages = "5087--5092",

journal = "Nanoscale",

issn = "2040-3364",

publisher = "Royal Society of Chemistry",

number = "10",

}

TY - JOUR

T1 - Carbon dioxide conversion into hydrocarbon fuels on defective graphene-supported Cu nanoparticles from first principles

AU - Lim, Dong Hee

AU - Jo, Jun Ho

AU - Shin, Dong Yun

AU - Wilcox, Jennifer

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

UR - http://www.scopus.com/inward/record.url?scp=84899526022&partnerID=8YFLogxK

U2 - 10.1039/c3nr06539a

DO - 10.1039/c3nr06539a

M3 - Article

AN - SCOPUS:84899526022

SN - 2040-3364

VL - 6

SP - 5087

EP - 5092

JO - Nanoscale

JF - Nanoscale

IS - 10

ER -

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

Abstract

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this