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

CORC > 金属研究所 > 中国科学院金属研究所

	Quantitative Analysis Method for Nitrogen Electron Energy -Loss Near -Edge Structures in Nanocarbons Based on Density Functional Theory Calculations and Linear Regression
	Chen, Junnan 2,3; Quan, Xueping 2; Lu, Ming 1,2; Niu, Yiming 2; Zhang, Bingsen 2,3
刊名	ULTRAMICROSCOPY
	2020-08-01
卷号	215 页码:5
关键词	EELS ELNES Density Functional Theory Linear Regression
ISSN号	0304-3991
DOI	10.1016/j.ultramic.2020.113006
通讯作者	Zhang, Bingsen(bszhang@imr.ac.cn)
英文摘要	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.
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
语种	英语
出版者	ELSEVIER
WOS记录号	WOS:000544042800002
资助机构	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
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/139661]
专题	金属研究所_中国科学院金属研究所
通讯作者	Zhang, Bingsen
作者单位	1.Jilin Normal Univ, Key Lab Funct Mat Phys & Chem, Minist Educ, Changchun 130103, Peoples R China 2.Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Peoples R China 3.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 110016, 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.