TY - JOUR

T1 - Diffraction features of single-walled carbon nanotubes

AU - Yatsenko, Dmitriy A.

AU - Salamatov, Ivan N.

AU - Bulavchenko, Olga A.

AU - Tsybulya, Sergey V.

N1 - This work was supported by the Ministry of Science and Higher Education of the Russian Federation within the governmental order for Boreskov Institute of Catalysis (project FWUR-2024-0032).

PY - 2024/10/28

Y1 - 2024/10/28

N2 - Single-walled carbon nanotubes (SWCNTs) are promising materials for use in multifunctional polymer composites. A special feature of SWCNTs is their tendency to aggregate into bundles with 2D close packing. The coherence of such packing leads to the appearance of diffraction maxima at small-angle X-ray scattering. Using the Debye equation for X-ray scattering, this work presents the results of a theoretical analysis of the influence exerted by various parameters of SWCNT bundles (length and diameter of SWCNTs, transverse dimensions of SWCNT bundles, distribution of diameters and the number of SWCNTs in bundles) on the position, width, and shape of these diffraction peaks. To this end, atomic models of both the individual tubes and their bundles were constructed taking into account the diameter distribution of nanotubes, which has a significant effect. The results obtained can be used to correctly interpret the experimental diffraction data.

AB - Single-walled carbon nanotubes (SWCNTs) are promising materials for use in multifunctional polymer composites. A special feature of SWCNTs is their tendency to aggregate into bundles with 2D close packing. The coherence of such packing leads to the appearance of diffraction maxima at small-angle X-ray scattering. Using the Debye equation for X-ray scattering, this work presents the results of a theoretical analysis of the influence exerted by various parameters of SWCNT bundles (length and diameter of SWCNTs, transverse dimensions of SWCNT bundles, distribution of diameters and the number of SWCNTs in bundles) on the position, width, and shape of these diffraction peaks. To this end, atomic models of both the individual tubes and their bundles were constructed taking into account the diameter distribution of nanotubes, which has a significant effect. The results obtained can be used to correctly interpret the experimental diffraction data.

KW - Carbon nanotubes

KW - Debye scattering equation

KW - SWCNT bundles

KW - X-ray diffraction

UR - https://www.mendeley.com/catalogue/e6014c4e-a6b9-3582-9bad-4735840e84ec/

UR - https://www.scopus.com/record/display.uri?eid=2-s2.0-85208104669&origin=inward&txGid=d14e482fef946bb0b005305f33dc7970

U2 - 10.1007/s00339-024-07996-5

DO - 10.1007/s00339-024-07996-5

M3 - Article

VL - 130

JO - Applied Physics A: Materials Science and Processing

JF - Applied Physics A: Materials Science and Processing

SN - 0947-8396

IS - 11

ER -