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Study on Raman multi-peak fitting and structure quantitative analysis of PAN-based carbon fibers

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Abstract

To ascertain the best multi-peak fitting model for first- and second-order Raman spectral of both high-strength carbon fibers (T series) and high-strength and high-modulus carbon fibers (MJ series), three statistical evaluation methods including R2, Akaike information criterion (AIC) and Bayesian information criterion (BIC) values were calculated. And by establishing the relationship between spectral parameters and mechanical properties, the inconsistencies of fitting results under different peak fitting models were discussed. Results indicated that all fitting models of MJ series showed higher statistical consistency compared with that of T series. A five-peak model consisting of D, G, A, I and D′ peak and a four-peak model including 2I, G′, D+G and 2D′ peak with Voigtian function was recommended for first- and second-order Raman spectral of MJ series. But for T series, the above five-peak model with Lorentzian function might be recommended for first-order spectral. Importantly, for MJ series, it was found that the relationship between ID/IG value and tensile strength or modulus was almost the same as that between full width at half maximum (FWHM) of G′ peak and tensile strength or modulus. It was considered that the second-order spectral parameter of FWHM of G′ peak was helpful to supplement the first-order spectral parameter of ID/IG value, both of which were related to disorder features of carbon fibers.

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All data used during the study are available from the corresponding author by request.

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Acknowledgements

We appreciate the supports from Fund Program for the Scientific Activities of Selected Returned Overseas Professionals in Shanxi Province.

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Authors and Affiliations

  1. CAS Key Laboratory for Carbon Materials, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan, 030001, China

    Ting Wu, Chunxiang Lu, Tongqing Sun & Yonghong Li

  2. Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing, 100049, China

    Ting Wu & Chunxiang Lu

  3. National Engineering Laboratory for Carbon Fiber Technology, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan, 030001, China

    Chunxiang Lu, Tongqing Sun & Yonghong Li

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  1. Ting Wu
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Contributions

Ting Wu: experiment, data-processing, Writing—original draft. Chunxiang Lu: conceptualization/theoretical guidance, Writing—Reviewing. Tongqing Sun: conceptualization/theoretical guidance, Writing—Reviewing. Yonghong Li: sample preparation and screening.

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Appendix

Appendix

See Figs. 16, 17, 18, 19, 20, 21, 22, 23, 24 and 25.

Figure 16
figure 16

Fit components for all fitting model applied to the First-order Raman spectrum of T300B sample without pretreatment

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Figure 17
figure 17

Fit components for all fitting model applied to the First-order Raman spectrum of GCF-5 sample without pretreatment

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Figure 18
figure 18

Fit model selection based on a 1 − R2, b ∆AIC and c ∆BIC value of T series carbon fibers without pretreatment

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Figure 19
figure 19

Fit model selection based on a 1 − R2, b ∆AIC and c ∆BIC value of MJ series carbon fibers without pretreatment

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Figure 20
figure 20

Plots of ID/IG value versus a tensile strength and b tensile modulus of T series carbon fibers without pretreatment

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Figure 21
figure 21

Plots of ID/IG value versus a tensile strength and b tensile modulus of MJ series carbon fibers without pretreatment

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Figure 22
figure 22

Fit components for three fitting functions applied to the second-order Raman spectrum of T300B and GCF-5 samples without pretreatment

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Figure 23
figure 23

Fit function selection based on 1 − R2, ∆AIC and ∆BIC value of T and MJ series carbon fibers without pretreatment

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Figure 24
figure 24

Plots of FWHM value for G′ peak versus tensile modulus of a T series and b MJ series carbon fibers without pretreatment

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Figure 25
figure 25

Plots of FWHM value for G′ peak versus tensile strength of a T series and b MJ series carbon fibers without pretreatment

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Wu, T., Lu, C., Sun, T. et al. Study on Raman multi-peak fitting and structure quantitative analysis of PAN-based carbon fibers. J Mater Sci 57, 15385–15412 (2022). https://doi.org/10.1007/s10853-022-07589-8

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