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Tuning the p-Orbital Electron Structure of s-Block Metal Ca Enables a High-Performance Electrocatalyst for Oxygen Reduction

文献类型：期刊论文

作者Lin, Zhiyu1; Huang, Hao1; Cheng, Ling1; Hu, Wei1; Xu, Pengping1; Yang, Yang1; Li, Jianmin2; Gao, Feiyue1; Yang, Kang1; Liu, Shuai1
刊名ADVANCED MATERIALS
出版日期2021-10-11
关键词active center oxygen reduction p-orbital electron structure s-block metal Ca single atom
ISSN号0935-9648
DOI10.1002/adma.202107103
通讯作者Wang, Hui(hw39@hmfl.ac.cn) ; Chen, Qianwang(cqw@ustc.edu.cn)
英文摘要Most 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.
WOS关键词GRAPHENE OXIDE ; HYDROGEN EVOLUTION ; ACTIVE-SITES ; FUEL-CELL ; CARBON ; CATALYST ; NITROGEN ; NANOPARTICLES ; DESIGN ; IRON
资助项目National Natural Science Foundation (NSFC)[51772283] ; National Key R&D 229 Program of China[2016YFA0401801]
WOS研究方向Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
语种英语
WOS记录号WOS:000705985400001
出版者WILEY-V C H VERLAG GMBH
资助机构National Natural Science Foundation (NSFC) ; National Key R&D 229 Program of China
源URL[http://ir.hfcas.ac.cn:8080/handle/334002/125525]  
专题中国科学院合肥物质科学研究院
通讯作者Wang, Hui; Chen, Qianwang
作者单位1.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
推荐引用方式
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).

入库方式： OAI收割

来源：合肥物质科学研究院

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