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Two-dimensional boron-doped graphyne nanosheet: A new metal-free catalyst for oxygen evolution reaction

文献类型：期刊论文

作者Kong, Xiangkai1,2; Huang, Yimin3; Liu, Qiangchun1
刊名CARBON
出版日期2017-10-01
卷号123页码:558-564
DOI10.1016/j.carbon.2017.08.003
文献子类Article
英文摘要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.
WOS关键词REDUCTION REACTION ; WATER OXIDATION ; GRAPHENE ; ELECTROCATALYSTS ; GRAPHDIYNE ; NI
WOS研究方向Chemistry ; Materials Science
语种英语
WOS记录号WOS:000410369600063
资助机构National Natural Science Foundation of China(51602116) ; National Natural Science Foundation of China(51602116) ; National Natural Science Foundation of China(51602116) ; National Natural Science Foundation of China(51602116) ; National Natural Science Foundation of China(51602116) ; National Natural Science Foundation of China(51602116) ; National Natural Science Foundation of China(51602116) ; National Natural Science Foundation of China(51602116) ; National Natural Science Foundation of China(51602116) ; National Natural Science Foundation of China(51602116) ; National Natural Science Foundation of China(51602116) ; National Natural Science Foundation of China(51602116) ; National Natural Science Foundation of China(51602116) ; National Natural Science Foundation of China(51602116) ; National Natural Science Foundation of China(51602116) ; National Natural Science Foundation of China(51602116) ; Anhui Natural Science Foundation(1708085QB40 ; Anhui Natural Science Foundation(1708085QB40 ; 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源URL[http://ir.hfcas.ac.cn:8080/handle/334002/33688]  
专题合肥物质科学研究院_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
推荐引用方式
GB/T 7714		 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.

入库方式： OAI收割

来源：合肥物质科学研究院

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