Optimizing Electron Densities of Ni-N-C Complexes by Hybrid Coordination for Efficient Electrocatalytic CO2 Reduction

doi:10.1002/cssc.201903427

CORC > 上海应用物理研究所 > 中国科学院上海应用物理研究所 > 中科院上海应用物理研究所2011-2017年

	Optimizing Electron Densities of Ni-N-C Complexes by Hybrid Coordination for Efficient Electrocatalytic CO2 Reduction
	Wang, ZL ; Choi, J ; Xu, MQ ; Hao, XF ; Zhang, H ; Jiang, Z ; Zuo, M ; Kim, J ; Zhou, W ; Meng, XG
刊名	CHEMSUSCHEM
	2020
卷号	13 期号:5 页码:929-937
关键词	ORGANIC FRAMEWORKS ELECTROREDUCTION SITES CATALYSTS IRON
ISSN号	1864-5631
DOI	10.1002/cssc.201903427
文献子类	期刊论文
英文摘要	Metal-N-C is a type of attractive electrocatalyst for efficient CO2 reduction to CO. Because of the ambiguity in their atomic structures, the active sites and catalytic mechanisms of the catalysts have remained under debate. Here, the effects of N and C hybrid coordination on the activity of Ni-N-C catalysts were investigated, combining theoretical and experimental methods. The theoretical calculations revealed that N and C hybrid coordination greatly enhanced the capability of single-atom Ni active sites to provide electrons to reactant molecules and strengthens the bonding of Ni to N and C in the Ni-N-C complexes. During the reaction process, the C and N coordination synergistically optimized the reaction energies in the conversion of CO2 to CO. A good agreement between theoretical calculations and electrochemical experiments was achieved based on the newly developed Ni-N-C electrocatalysts. The activity of hybrid-coordination NiN2C2 was more than double that of single-coordination NiN4.
语种	英语
内容类型	期刊论文
源URL	[http://ir.sinap.ac.cn/handle/331007/33054]
专题	上海应用物理研究所_中科院上海应用物理研究所2011-2017年
作者单位	1.Yanshan Univ, Key Lab Appl Chem, Qinhuangdao 066004, Hebei, Peoples R China 2.Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100049, Peoples R China 3.Univ Wollongong, IPRI, AIIM, Wollongong, NSW 2522, Australia 4.Univ Wollongong, ARC Ctr Excellence Electromat Sci, AIIM, Wollongong, NSW 2522, Australia 5.Tianjin Univ, Sch Chem Engn & Technol, Tianjin 300072, Peoples R China 6.Natl Inst Mat Sci, Int Ctr Mat Nanoarchitecton MANA, 1-1 Namiki, Tsukuba, Ibaraki 3050044, Japan 7.Kyung Hee Univ, Dept Plant & Environm New Resources, Yongin 446701, South Korea 8.Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230029, Anhui, Peoples R China 9.Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China 10.Chinese Acad Sci, Shanghai Synchrotron Radiat Facil, Shanghai Inst Appl Phys, Shanghai 201204, Peoples R China
推荐引用方式 GB/T 7714	Wang, ZL,Choi, J,Xu, MQ,et al. Optimizing Electron Densities of Ni-N-C Complexes by Hybrid Coordination for Efficient Electrocatalytic CO2 Reduction[J]. CHEMSUSCHEM,2020,13(5):929-937.
APA	Wang, ZL.,Choi, J.,Xu, MQ.,Hao, XF.,Zhang, H.,...&Yamauchi, Y.(2020).Optimizing Electron Densities of Ni-N-C Complexes by Hybrid Coordination for Efficient Electrocatalytic CO2 Reduction.CHEMSUSCHEM,13(5),929-937.
MLA	Wang, ZL,et al."Optimizing Electron Densities of Ni-N-C Complexes by Hybrid Coordination for Efficient Electrocatalytic CO2 Reduction".CHEMSUSCHEM 13.5(2020):929-937.