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

被引：157

作者：

Lim, Dong-Hee ^{[1
,2
]}

Jo, Jun Ho ^{[1
]}

Shin, Dong Yun ^{[1
]}

Wilcox, Jennifer ^{[3
]}

Ham, Hyung Chul ^{[1
]}

Nam, Suk Woo ^{[1
]}

机构：

[1] Korea Inst Sci & Technol, Fuel Cell Res Ctr, Seoul 136791, South Korea

[2] Chungbuk Natl Univ, Dept Environm Engn, Cheongju 361763, Chungbuk, South Korea

[3] Stanford Univ, Dept Energy Resources Engn, Stanford, CA 94305 USA

来源：

NANOSCALE | 2014年 / 6卷 / 10期

基金：

新加坡国家研究基金会;

关键词：

ELECTROCHEMICAL REDUCTION; OXYGEN REDUCTION; CO2; REDUCTION; COPPER ELECTRODE; METHANE; SURFACE; SILVER; ELECTROREDUCTION; COMPLEXES; CATALYSTS;

D O I：

10.1039/c3nr06539a

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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*.

引用

页码：5087 / 5092

页数：6

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