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Tuning the p-Orbital Electron Structure of s-Block Metal Ca Enables a High-Performance Electrocatalyst for Oxygen Reduction
Lin, Zhiyu1; Huang, Hao1; Cheng, Ling1; Hu, Wei1; Xu, Pengping1; Yang, Yang1; Li, Jianmin2; Gao, Feiyue1; Yang, Kang1; Liu, Shuai1; Jiang, Peng1; Yan, Wensheng1; Chen, Shi1; Wang, Changlai1; Tong, Huigang1; Huang, Minxue1; Zheng, Wei1; Wang, Hui3; Chen, Qianwang1,3
2021-10-11
Source PublicationADVANCED MATERIALS
ISSN0935-9648
Corresponding AuthorWang, Hui(hw39@hmfl.ac.cn) ; Chen, Qianwang(cqw@ustc.edu.cn)
AbstractMost previous efforts are devoted to developing transition metals as electrocatalysts guided by the d-band center model. The metals of the s-block of the periodic table have so far received little attention in the application of oxygen reduction reactions (ORR). Herein, a carbon catalyst with calcium (Ca) single atom coordinated with N and O is reported, which displays exceptional ORR activities in both acidic condition (E-1/2 = 0.77 V, 0.1 m HClO4) and alkaline condition (E-1/2 = 0.90 V, 0.1 m KOH). The Ca-N, O/C exhibits remarkable performance in zinc-air battery with a maximum power density of 218 mW cm(-2), superior to a series of catalysts reported so far. X-ray absorption near-edge structure (XANES) characterization confirms the formation of N- and O-atom-coordinated Ca in the carbon matrix. Density functional theory (DFT) calculations reveal that the high catalytic activity of main-group Ca is ascribed to the fact that its p-orbital electron structure is regulated by N and O coordination so that the highest peak (E-P) of the projected density of states (PDOS) for the Ca atom is moved close to the Fermi level, thereby facilitating the adsorption of ORR intermediates and electron transfer.
Keywordactive center oxygen reduction p-orbital electron structure s-block metal Ca single atom
DOI10.1002/adma.202107103
WOS KeywordGRAPHENE OXIDE ; HYDROGEN EVOLUTION ; ACTIVE-SITES ; FUEL-CELL ; CARBON ; CATALYST ; NITROGEN ; NANOPARTICLES ; DESIGN ; IRON
Indexed BySCI
Language英语
Funding ProjectNational Natural Science Foundation (NSFC)[51772283] ; National Key R&D 229 Program of China[2016YFA0401801]
Funding OrganizationNational Natural Science Foundation (NSFC) ; National Key R&D 229 Program of China
WOS Research AreaChemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
WOS SubjectChemistry, Multidisciplinary ; Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied ; Physics, Condensed Matter
WOS IDWOS:000705985400001
PublisherWILEY-V C H VERLAG GMBH
Citation statistics
Cited Times:3[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.hfcas.ac.cn:8080/handle/334002/125526
Collection中国科学院合肥物质科学研究院
Corresponding AuthorWang, Hui; Chen, Qianwang
Affiliation1.Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Dept Mat Sci & Engn, Natl Synchrotron Radiat Lab, Hefei 230026, Peoples R China
2.Chinese Acad Sci, Inst High Energy Phys, Beijing Synchrotron Radiat Facil BSRF, Beijing 100049, Peoples R China
3.Chinese Acad Sci, Hefei Inst Phys Sci, High Field Magnet Lab, Anhui Key Lab Condensed Mater Phys Extreme Condit, Hefei 230031, Peoples R China
Corresponding Author AffilicationChinese Acad Sci, High Field Magnet Lab,Hefei 230031, Anhui, Peoples R China
Recommended Citation
GB/T 7714
Lin, Zhiyu,Huang, Hao,Cheng, Ling,et al. Tuning the p-Orbital Electron Structure of s-Block Metal Ca Enables a High-Performance Electrocatalyst for Oxygen Reduction[J]. ADVANCED MATERIALS,2021.
APA Lin, Zhiyu.,Huang, Hao.,Cheng, Ling.,Hu, Wei.,Xu, Pengping.,...&Chen, Qianwang.(2021).Tuning the p-Orbital Electron Structure of s-Block Metal Ca Enables a High-Performance Electrocatalyst for Oxygen Reduction.ADVANCED MATERIALS.
MLA Lin, Zhiyu,et al."Tuning the p-Orbital Electron Structure of s-Block Metal Ca Enables a High-Performance Electrocatalyst for Oxygen Reduction".ADVANCED MATERIALS (2021).
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