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Nitro-Group-Doped Fully Conjugated 2D Covalent Organic Polymers for Enhanced Oxygen Reduction Reaction
Li, Yang4; Peng, Peng4; Liao, Zhijian4; Huo, Feng1; Liu, Yujia2; Shao, Xiaohong3; Xiang, Zhonghua4
2020-03-09
Source PublicationACS SUSTAINABLE CHEMISTRY & ENGINEERING
ISSN2168-0485
Volume8Issue:9Pages:3728-3733
AbstractOxygen reduction reaction (ORR) is a vital electrode reaction in fuel cells, which can directly convert hydrogen into electricity without burning. Modulating the charge distribution in the carbon skeleton through heteroatom doping, in the last few years, has been an efficient and desirable strategy to endow electrocatalysts with superior ORR performance. Here, nitro-group doping instead of single heteroatom doping was studied for enhancing the ORR performance based on two-dimensional (2D) fully conjugated covalent organic polymers (COPs). The nitro-group-doped COP materials were investigated via charge density, the density of states (DOS), band structure, and free energy diagrams of the oxygen reduction reaction (ORR). The related calculation showed that compared with nitrogen atom doping, nitro-group doping could facilitate efficient ORR activity and achieved much higher ORR performance. Accordingly, this work proposed a new approach toward selecting better doping sources for enhanced ORR performance.
Keywordcovalent organic polymers oxygen reduction reaction heteroatom doping nitrogen doping first-principle calculations
DOI10.1021/acssuschemeng.9b06840
Language英语
WOS KeywordMETAL-FREE ELECTROCATALYSTS ; CARBON NANOTUBES ; CATALYSTS ; GRAPHENE ; DESIGN
Funding ProjectFundamental Research Funds for the Central Universities[buctrc201420] ; Fundamental Research Funds for the Central Universities[buctrc201714] ; BUCT Fund for Disciplines Construction and Development[XK1502] ; Distinguished Scientist Program at BUCT[buctylkxj02] ; "Double -First-Class" construction projects[XK180301] ; "Double -First-Class" construction projects[XK1804-02]
WOS Research AreaChemistry ; Science & Technology - Other Topics ; Engineering
WOS SubjectChemistry, Multidisciplinary ; Green & Sustainable Science & Technology ; Engineering, Chemical
Funding OrganizationFundamental Research Funds for the Central Universities ; BUCT Fund for Disciplines Construction and Development ; Distinguished Scientist Program at BUCT ; "Double -First-Class" construction projects
WOS IDWOS:000519150200024
PublisherAMER CHEMICAL SOC
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.ipe.ac.cn/handle/122111/39887
Collection中国科学院过程工程研究所
Corresponding AuthorHuo, Feng; Liu, Yujia; Shao, Xiaohong; Xiang, Zhonghua
Affiliation1.Chinese Acad Sci, Inst Proc Engn, State Key Lab Multiphase Complex Syst, Beijing Key Lab Ion Liquids Clean Proc, Beijing 100190, Peoples R China
2.Guangdong Univ Technol, Sch Chem Engn & Light Ind, Guangzhou 510006, Peoples R China
3.Beijing Univ Chem Technol, Coll Sci, Beijing 100029, Peoples R China
4.Beijing Univ Chem Technol, State Key Lab Organ Inorgan Composites, Beijing 100029, Peoples R China
Recommended Citation
GB/T 7714
Li, Yang,Peng, Peng,Liao, Zhijian,et al. Nitro-Group-Doped Fully Conjugated 2D Covalent Organic Polymers for Enhanced Oxygen Reduction Reaction[J]. ACS SUSTAINABLE CHEMISTRY & ENGINEERING,2020,8(9):3728-3733.
APA Li, Yang.,Peng, Peng.,Liao, Zhijian.,Huo, Feng.,Liu, Yujia.,...&Xiang, Zhonghua.(2020).Nitro-Group-Doped Fully Conjugated 2D Covalent Organic Polymers for Enhanced Oxygen Reduction Reaction.ACS SUSTAINABLE CHEMISTRY & ENGINEERING,8(9),3728-3733.
MLA Li, Yang,et al."Nitro-Group-Doped Fully Conjugated 2D Covalent Organic Polymers for Enhanced Oxygen Reduction Reaction".ACS SUSTAINABLE CHEMISTRY & ENGINEERING 8.9(2020):3728-3733.
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