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Two-dimensional boron-doped graphyne nanosheet: A new metal-free catalyst for oxygen evolution reaction
Kong, Xiangkai1,2; Huang, Yimin3; Liu, Qiangchun1
2017-10-01
发表期刊CARBON
卷号123页码:558-564
摘要Highly efficient, economical and environmentally friendly materials are important and remain a challenge in the renewable energy conversion and storage technologies. The oxygen evolution reaction has been envisaged on a two-dimensional graphyne (GY) nanosheet based on density functional theory framework. Local electronic/chemical environment on GY surface is significantly influenced and can be controlled by doping foreign atoms with different formats, which will contribute to its improved catalytic performance. Henceforth, free energy change diagrams, Raman spectra, natural bond orbital charge density, charge density difference, and other data have been calculated and discussed. It is suggested that boron doping at edge sites on GY is the ideal candidate for high OER activity, which is efficient as carbon-based electrocatalysts for water splitting and metal-air batteries. (C) 2017 Elsevier Ltd. All rights reserved.
文章类型Article
WOS标题词Science & Technology ; Physical Sciences ; Technology
资助者National Natural Science Foundation of China(51602116) ; National Natural Science Foundation of China(51602116) ; Anhui Natural Science Foundation(1708085QB40 ; Anhui Natural Science Foundation(1708085QB40 ; China Postdoctoral Science Foundation(2016M600492) ; China Postdoctoral Science Foundation(2016M600492) ; Natural Science Fund for Colleges and Universities in Anhui Province(KJ2017ZD31) ; Natural Science Fund for Colleges and Universities in Anhui Province(KJ2017ZD31) ; 1508085ME100) ; 1508085ME100) ; National Natural Science Foundation of China(51602116) ; National Natural Science Foundation of China(51602116) ; Anhui Natural Science Foundation(1708085QB40 ; Anhui Natural Science Foundation(1708085QB40 ; China Postdoctoral Science Foundation(2016M600492) ; China Postdoctoral Science Foundation(2016M600492) ; Natural Science Fund for Colleges and Universities in Anhui Province(KJ2017ZD31) ; Natural Science Fund for Colleges and Universities in Anhui Province(KJ2017ZD31) ; 1508085ME100) ; 1508085ME100)
DOI10.1016/j.carbon.2017.08.003
关键词[WOS]REDUCTION REACTION ; WATER OXIDATION ; GRAPHENE ; ELECTROCATALYSTS ; GRAPHDIYNE ; NI
收录类别SCI
语种英语
资助者National Natural Science Foundation of China(51602116) ; National Natural Science Foundation of China(51602116) ; Anhui Natural Science Foundation(1708085QB40 ; Anhui Natural Science Foundation(1708085QB40 ; China Postdoctoral Science Foundation(2016M600492) ; China Postdoctoral Science Foundation(2016M600492) ; Natural Science Fund for Colleges and Universities in Anhui Province(KJ2017ZD31) ; Natural Science Fund for Colleges and Universities in Anhui Province(KJ2017ZD31) ; 1508085ME100) ; 1508085ME100) ; National Natural Science Foundation of China(51602116) ; National Natural Science Foundation of China(51602116) ; Anhui Natural Science Foundation(1708085QB40 ; Anhui Natural Science Foundation(1708085QB40 ; China Postdoctoral Science Foundation(2016M600492) ; China Postdoctoral Science Foundation(2016M600492) ; Natural Science Fund for Colleges and Universities in Anhui Province(KJ2017ZD31) ; Natural Science Fund for Colleges and Universities in Anhui Province(KJ2017ZD31) ; 1508085ME100) ; 1508085ME100)
WOS研究方向Chemistry ; Materials Science
WOS类目Chemistry, Physical ; Materials Science, Multidisciplinary
WOS记录号WOS:000410369600063
引用统计
文献类型期刊论文
条目标识符http://ir.hfcas.ac.cn:8080/handle/334002/33688
专题中科院强磁场科学中心
作者单位1.Huaibei Normal Univ, Sch Phys & Elect Informat, Huaibei 235000, Anhui, Peoples R China
2.Chinese Acad Sci, High Field Magnet Lab, Hefei 230031, Anhui, Peoples R China
3.Purdue Univ, Dept Chem, W Lafayette, IN 47907 USA
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Kong, Xiangkai,Huang, Yimin,Liu, Qiangchun. Two-dimensional boron-doped graphyne nanosheet: A new metal-free catalyst for oxygen evolution reaction[J]. CARBON,2017,123:558-564.
APA Kong, Xiangkai,Huang, Yimin,&Liu, Qiangchun.(2017).Two-dimensional boron-doped graphyne nanosheet: A new metal-free catalyst for oxygen evolution reaction.CARBON,123,558-564.
MLA Kong, Xiangkai,et al."Two-dimensional boron-doped graphyne nanosheet: A new metal-free catalyst for oxygen evolution reaction".CARBON 123(2017):558-564.
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