Nitro-Group-Doped Fully Conjugated 2D Covalent Organic Polymers for Enhanced Oxygen Reduction Reaction

doi:10.1021/acssuschemeng.9b06840

	Nitro-Group-Doped Fully Conjugated 2D Covalent Organic Polymers for Enhanced Oxygen Reduction Reaction
	Li, Yang 4; Peng, Peng 4; Liao, Zhijian 4; Huo, Feng 2; Liu, Yujia 1; Shao, Xiaohong 3; Xiang, Zhonghua 4
刊名	ACS SUSTAINABLE CHEMISTRY & ENGINEERING
	2020-03-09
卷号	8 期号:9 页码:3728-3733
关键词	covalent organic polymers oxygen reduction reaction heteroatom doping nitrogen doping first-principle calculations
ISSN号	2168-0485
DOI	10.1021/acssuschemeng.9b06840
英文摘要	Oxygen 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.
资助项目	Fundamental 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关键词	METAL-FREE ELECTROCATALYSTS ; CARBON NANOTUBES ; CATALYSTS ; GRAPHENE ; DESIGN
WOS研究方向	Chemistry ; Science & Technology - Other Topics ; Engineering
语种	英语
出版者	AMER CHEMICAL SOC
WOS记录号	WOS:000519150200024
资助机构	Fundamental Research Funds for the Central Universities ; BUCT Fund for Disciplines Construction and Development ; Distinguished Scientist Program at BUCT ; "Double -First-Class" construction projects
内容类型	期刊论文
源URL	[http://ir.ipe.ac.cn/handle/122111/39886]
专题	中国科学院过程工程研究所
通讯作者	Huo, Feng; Liu, Yujia; Shao, Xiaohong; Xiang, Zhonghua
作者单位	1.Guangdong Univ Technol, Sch Chem Engn & Light Ind, Guangzhou 510006, Peoples R China 2.Chinese Acad Sci, Inst Proc Engn, State Key Lab Multiphase Complex Syst, Beijing Key Lab Ion Liquids Clean Proc, Beijing 100190, 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
推荐引用方式 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.