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Quantitative Analysis Method for Nitrogen Electron Energy -Loss Near -Edge Structures in Nanocarbons Based on Density Functional Theory Calculations and Linear Regression
Chen, Junnan1,2; Quan, Xueping1; Lu, Ming1,3; Niu, Yiming1; Zhang, Bingsen1,2
Corresponding AuthorZhang, Bingsen(bszhang@imr.ac.cn)
2020-08-01
Source PublicationULTRAMICROSCOPY
ISSN0304-3991
Volume215Pages:5
AbstractNonmetallic 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.
KeywordEELS ELNES Density Functional Theory Linear Regression
Funding OrganizationNational 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
DOI10.1016/j.ultramic.2020.113006
Indexed BySCI
Language英语
Funding ProjectNational 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 Research AreaMicroscopy
WOS SubjectMicroscopy
WOS IDWOS:000544042800002
PublisherELSEVIER
Citation statistics
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/139662
Collection中国科学院金属研究所
Corresponding AuthorZhang, Bingsen
Affiliation1.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
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,2020,215:5.
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.
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