CAS OpenIR  > 中科院上海应用物理研究所2011-2020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; Yu, Q; Sun, ZH; Wei, SQ; Ye, JH; Wallace, GG; Officer, DL; Yamauchi, Y
2020
Source PublicationCHEMSUSCHEM
ISSN1864-5631
Volume13Issue:5Pages:929-937
Subtype期刊论文
AbstractMetal-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.
KeywordORGANIC FRAMEWORKS ELECTROREDUCTION SITES CATALYSTS IRON
DOI10.1002/cssc.201903427
Indexed BySCI ; EI
Language英语
Citation statistics
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/33054
Collection中科院上海应用物理研究所2011-2020年
Affiliation1.Natl Inst Mat Sci, Int Ctr Mat Nanoarchitecton MANA, 1-1 Namiki, Tsukuba, Ibaraki 3050044, Japan
2.Tianjin Univ, Sch Chem Engn & Technol, Tianjin 300072, Peoples R China
3.Univ Wollongong, ARC Ctr Excellence Electromat Sci, AIIM, Wollongong, NSW 2522, Australia
4.Univ Wollongong, IPRI, AIIM, Wollongong, NSW 2522, Australia
5.Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100049, Peoples R China
6.Univ Chinese Acad Sci, CAS Key Lab Vacuum Phys, Beijing 100049, Peoples R China
7.Yanshan Univ, Key Lab Appl Chem, Qinhuangdao 066004, Hebei, Peoples R China
8.Chinese Acad Sci, Shanghai Synchrotron Radiat Facil, Shanghai Inst Appl Phys, Shanghai 201204, Peoples R China
9.Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China
10.Univ Queensland, Sch Chem Engn, Brisbane, Qld 4072, Australia (1
11.Univ Queensland, AIBN, Brisbane, Qld 4072, Australia
12.Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230029, Anhui, Peoples R China
13.Kyung Hee Univ, Dept Plant & Environm New Resources, Yongin 446701, South Korea
Recommended Citation
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.
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