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; Quan, Xueping; Lu, Ming; Niu, Yiming; Zhang, Bingsen
	2020-08-01
Source Publication	ULTRAMICROSCOPY
Volume	215
Abstract	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.
DOI	10.1016/j.ultramic.2020.113006
WOS ID	WOS:000544042800002
Citation statistics
Document Type	期刊论文
Identifier	http://ir.imr.ac.cn/handle/321006/82662
Collection	中国科学院金属研究所
Recommended Citation 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.
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.
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).

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