Enhanced CO2 electroreduction on armchair graphene nanoribbons edge-decorated with copper

doi:10.1007/s12274-016-1362-9

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	Enhanced CO2 electroreduction on armchair graphene nanoribbons edge-decorated with copper
	Guizhi Zhu ; Yawei Li ; Haibin Su ; Siew Hwa Chan ; Qiang Sun
刊名	纳米研究（英文版）
	2017
关键词	carbon dioxide density functional calculations edge effects electrocatalysis graphene nanoribbons carbon dioxide density functional calculations edge effects electrocatalysis graphene nanoribbons PLANAR TETRACOORDINATE CARBON DENSITY-FUNCTIONAL THEORY TOTAL-ENERGY CALCULATIONS WAVE BASIS-SET ELECTROCHEMICAL REDUCTION HYDROGEN STORAGE ELECTRODES CU NANOPARTICLES ETHYLENE
DOI	10.1007/s12274-016-1362-9
英文摘要	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.; 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 catalystsforproducing 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.; National Research Foundation (NRF) of Singapore under its Campus for Research Excellence and Technological Enterprise (CREATE) program; National Natural Science Foundation of China [11274023, 21573008]; National Basic Research Program of China [2012CB921404]; SCI(E); 5; 1641-1650; 10
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/462453]
专题	工学院
推荐引用方式 GB/T 7714	Guizhi Zhu,Yawei Li,Haibin Su,et al. Enhanced CO2 electroreduction on armchair graphene nanoribbons edge-decorated with copper[J]. 纳米研究（英文版）,2017.
APA	Guizhi Zhu,Yawei Li,Haibin Su,Siew Hwa Chan,&Qiang Sun.(2017).Enhanced CO2 electroreduction on armchair graphene nanoribbons edge-decorated with copper.纳米研究（英文版）.
MLA	Guizhi Zhu,et al."Enhanced CO2 electroreduction on armchair graphene nanoribbons edge-decorated with copper".纳米研究（英文版） (2017).