Curvature-Dependent Selectivity of CO2 Electrocatalytic Reduction on   Cobalt Porphyrin Nanotubes

doi:10.1021/acscatal.6b02020

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	Curvature-Dependent Selectivity of CO2 Electrocatalytic Reduction on Cobalt Porphyrin Nanotubes
	Zhu, Guizhi ; Li, Yawei ; Zhu, Haiyan ; Su, Haibin ; Chan, Siew Hwa ; Sun, Qiang
刊名	ACS CATALYSIS
	2016
关键词	CO2 reduction cobalt-porphyrin nanotubes density functional theory microkinetic modeling electrocatalysis CO2-TO-CO ELECTROCHEMICAL CONVERSION CARBON-DIOXIDE REDUCTION METAL PHTHALOCYANINE ORGANIC FRAMEWORKS OXYGEN REDUCTION HYDROCARBONS CATALYSTS ELECTRODE COPPER WATER
DOI	10.1021/acscatal.6b02020
英文摘要	The selective electrocatalytic conversion of CO2 into useful products is a major challenge in facilitating a closed carbon cycle. Here, on the basis of first-principles calculations combined with computational hydrogen electrode model, we report a curvature-dependent selectivity of CO2 reduction on cobalt porphyrin nanotubes which are thermodynamically stable, displaying tunable geometric and electronic properties with tube radius. We have found that CO production is preferred on nanotubes with larger diameter, and the predicted current density from microkinetics is larger than that on Au, the best metal catalyst for CO production from CO2 electroreduction. In contrast, highly curved nanotubes with small radii tend to further catalyze CO reduction to CH4 gas and the overpotential is much lower in comparison with the cases on Cu surfaces. The selectivity and the feasibility of synthesis make cobalt porphyrin nanotubes very promising for CO2 conversion.; National Research Foundation (NRF) of Singapore under its Campus for Research Excellence and Technological Enterprise (CREATE) program; National Natural Science Foundation of China [NSFC-11274023, 21573008]; National Grand Fundamental Research 973 Program of China [2012CB921404]; SCI(E); EI; ARTICLE; sunqiang@pku.edu.cn; 9; 6294-6301; 6
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/491435]
专题	工学院
推荐引用方式 GB/T 7714	Zhu, Guizhi,Li, Yawei,Zhu, Haiyan,et al. Curvature-Dependent Selectivity of CO2 Electrocatalytic Reduction on Cobalt Porphyrin Nanotubes[J]. ACS CATALYSIS,2016.
APA	Zhu, Guizhi,Li, Yawei,Zhu, Haiyan,Su, Haibin,Chan, Siew Hwa,&Sun, Qiang.(2016).Curvature-Dependent Selectivity of CO2 Electrocatalytic Reduction on Cobalt Porphyrin Nanotubes.ACS CATALYSIS.
MLA	Zhu, Guizhi,et al."Curvature-Dependent Selectivity of CO2 Electrocatalytic Reduction on Cobalt Porphyrin Nanotubes".ACS CATALYSIS (2016).