@article{Zhu2017, 
author = {Guizhi Zhu and Yawei Li and Haiyan Zhu and Haibin Su and Siew Hwa Chan and Qiang Sun},
title = {Enhanced CO2 electroreduction on armchair graphene nanoribbons edge-decorated with copper},
year = {2017},
journal = {Nano Research},
volume = {10},
number = {5},
pages = {1641-1650},
keywords = {carbon dioxide, electrocatalysis, graphene nanoribbons, density functional calculations, edge effects},
url = {https://www.sciopen.com/article/10.1007/s12274-016-1362-9},
doi = {10.1007/s12274-016-1362-9},
abstract = {Inspired by the recent experimental synthesis of graphene nanoribbons (GNRs) and theoretical research on their edge-decoration, we comprehensively studied the electrocatalytic performance of GNRs edge-decorated with Cu for CO2 reduction. Compared to zigzag GNRs, the Cu-terminated armchair GNRs with a width of n = 3p + 2 were more efficient catalysts for producing methanol from CO2 with a free energy barrier of less than 0.5 eV, offering the advantages of a lower overpotential and higher selectivity than bulk Cu and other graphene-supported Cu structures. On the other hand, the competing hydrogen evolution reaction could be effectively suppressed by Cu-terminated armchair GNRs. Hence, the edge-decorated GNRs offer great flexibility for tuning the catalytic efficiency and selectivity for CO2 electroreduction.}
}