Curvature-Dependent Selectivity of CO2 Electrocatalytic Reduction on Cobalt Porphyrin Nanotubes
文献类型：期刊论文
| 作者 | Zhu, Guizhi1,2; Li, Yawei1,2; Zhu, Haiyan1,3; Su, Haibin1,4; Chan, Siew Hwa1,5; Sun, Qiang1,2 |
| 刊名 | ACS CATALYSIS
 |
| 出版日期 | 2016-09-01 |
| 卷号 | 6页码:6294-6301 |
| 关键词 | CO2 reduction cobalt-porphyrin nanotubes density functional theory microkinetic modeling electrocatalysis |
| ISSN号 | 2155-5435 |
| 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. |
| WOS关键词 | CO2-TO-CO ELECTROCHEMICAL CONVERSION ; CARBON-DIOXIDE REDUCTION ; METAL PHTHALOCYANINE ; ORGANIC FRAMEWORKS ; OXYGEN REDUCTION ; HYDROCARBONS ; CATALYSTS ; ELECTRODE ; COPPER ; WATER |
| 资助项目 | 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] ; National Natural Science Foundation of China[21573008] ; National Grand Fundamental Research 973 Program of China[2012CB921404] |
| WOS研究方向 | Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000382714000075 |
| 出版者 | AMER CHEMICAL SOC |
| 资助机构 | National Research Foundation (NRF) of Singapore under its Campus for Research Excellence and Technological Enterprise (CREATE) program ; National Natural Science Foundation of China ; National Grand Fundamental Research 973 Program of China |
| 源URL | [http://119.78.100.186/handle/113462/43314]  |
| 专题 | 中国科学院近代物理研究所 |
| 通讯作者 | Sun, Qiang |
| 作者单位 | 1.Singapore Peking Univ, Res Ctr, Campus Res Excellence & Technol Enterprise CREATE, Singapore 138602, Singapore 2.Peking Univ, Dept Mat Sci & Engn, Beijing 100871, Peoples R China 3.Northwest Univ, Inst Modern Phys, Xian 710069, Peoples R China 4.Nanyang Technol Univ, Sch Mat Sci & Engn, Singapore 639798, Singapore 5.Nanyang Technol Univ, Sch Mech & Aerosp Engn, Singapore 639798, Singapore |
| 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,2016,6:6294-6301. |
| 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,6,6294-6301. |
| MLA | Zhu, Guizhi,et al."Curvature-Dependent Selectivity of CO2 Electrocatalytic Reduction on Cobalt Porphyrin Nanotubes".ACS CATALYSIS 6(2016):6294-6301. |
入库方式： OAI收割
来源：近代物理研究所
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