Quantitative Analysis Method for Nitrogen Electron Energy -Loss Near -Edge Structures in Nanocarbons Based on Density Functional Theory Calculations and Linear Regression

doi:10.1016/j.ultramic.2020.113006

IMR OpenIR

	Quantitative Analysis Method for Nitrogen Electron Energy -Loss Near -Edge Structures in Nanocarbons Based on Density Functional Theory Calculations and Linear Regression
	Chen, Junnan 1,2; Quan, Xueping 1; Lu, Ming 1,3; Niu, Yiming 1; Zhang, Bingsen 1,2
通讯作者	Zhang, Bingsen(bszhang@imr.ac.cn)
	2020-08-01
发表期刊	ULTRAMICROSCOPY
ISSN	0304-3991
卷号	215 页码:5
摘要	Nonmetallic heteroatoms found in carbon nanomaterials act as active sites and exhibit excellent catalytic per- formance. Owing to structural complexity and the limitations of characterization technology, the identification of active sites in nanocarbon is challenging and controversial. Electron energy -loss spectroscopy is an electron microscope technique with high spatial resolution and a powerful tool for identifying the arrangement of het- eroatoms. However, structural information regarding the configuration and distribution of heteroatoms is dif- ficult to obtain using existing analytical methods. Herein, we have developed a method for the quantitative analysis of electron energy -loss near -edge structures to identify accurately nitrogen species in nanocarbon. Based on this approach, the relative amounts of nitrogen species were obtained from linear regression with calculated spectra. The concentration distribution of nanocarbon obtained by this method was consistent with the result of X-ray photoelectron spectroscopy analysis at different depths. Therefore, this fitting method can be used for the quantitative analysis of nitrogen K -edge structures. This provides a new strategy for studying the structure - - activity relationships of carbon -based materials and the further design of custom nanocarbon catalysts with high active site densities.
关键词	EELS ELNES Density Functional Theory Linear Regression
资助者	National Natural Science Foundation of China ; Liao Ning Revitalization Talents Program ; Joint Research Fund Liaoning Shenyang National Laboratory for Materials Science (SYNL) ; SYNL ; Youth Innovation Promotion Association CAS
DOI	10.1016/j.ultramic.2020.113006
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation of China[21761132025] ; National Natural Science Foundation of China[21773269] ; National Natural Science Foundation of China[51932005] ; Liao Ning Revitalization Talents Program[XLYC1807175] ; Joint Research Fund Liaoning Shenyang National Laboratory for Materials Science (SYNL)[20180510047] ; SYNL[L2019F38] ; Youth Innovation Promotion Association CAS[2015152]
WOS研究方向	Microscopy
WOS类目	Microscopy
WOS记录号	WOS:000544042800002
出版者	ELSEVIER
引用统计	被引频次：1[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/139662
专题	中国科学院金属研究所
通讯作者	Zhang, Bingsen
作者单位	1.Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Peoples R China 2.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 110016, Peoples R China 3.Jilin Normal Univ, Key Lab Funct Mat Phys & Chem, Minist Educ, Changchun 130103, Peoples R China
推荐引用方式 GB/T 7714	Chen, Junnan,Quan, Xueping,Lu, Ming,et al. Quantitative Analysis Method for Nitrogen Electron Energy -Loss Near -Edge Structures in Nanocarbons Based on Density Functional Theory Calculations and Linear Regression[J]. ULTRAMICROSCOPY,2020,215:5.
APA	Chen, Junnan,Quan, Xueping,Lu, Ming,Niu, Yiming,&Zhang, Bingsen.(2020).Quantitative Analysis Method for Nitrogen Electron Energy -Loss Near -Edge Structures in Nanocarbons Based on Density Functional Theory Calculations and Linear Regression.ULTRAMICROSCOPY,215,5.
MLA	Chen, Junnan,et al."Quantitative Analysis Method for Nitrogen Electron Energy -Loss Near -Edge Structures in Nanocarbons Based on Density Functional Theory Calculations and Linear Regression".ULTRAMICROSCOPY 215(2020):5.