Full-Profile Approximation of the X-Ray Diffractogram for Nanographite Powder Including γ-Band by Taking into Account Radial Dependence of Interatomic Distances

Abstract:

This paper outlines the procedure for determining the sizes, structural parameters and percentage content of various particle types in nanographite powders by full-profile approximation of the X-ray diffractogram of sample with using a set of X-ray diffraction profiles for powders of model nanographites. It was shown that taking into account the model nanographites with the radial dependence of interatomic distances within the layer and the dependence of interlayer distances on average number of atoms in the layer allows to describe the X-ray diffraction profile of nanographite powder in the wide angular range including so-called γ-band in small angles without assumptions on presence of other structures in it.

• Periodical: Defect and Diffusion Forum (Volume 386)
• Pages: 394-399
• DOI: https://doi.org/10.4028/www.scientific.net/DDF.386.394
• Online since: September 2018
• Authors: Nikita S. Saenko*, Albert M. Ziatdinov
• Keywords: Full-Profile Approximation, Model Nanographite, Nanographite, Radial Dependence of Interatomic Distances, X-Ray Powder Diffraction, γ-Band

References

[1] Enoki T., Ando T. (Eds.), Physics and Chemistry of Graphene – Graphene to Nanographene, Pan Stanford Publishing Pte Ltd., Singapore, 2013, 476 pp.

DOI: 10.1201/b14396

[2] G.Z. Magda, X. Jin, I. Hagymasi, P. Vancso, Z. Osvath, P. Nemes-Incze, C. Hwang, L.P. Biro, L. Tapaszto, Room temperature magnetic order on zigzag edges of narrow graphene nanoribbons, Nature. 514 (2014) 608-611.

DOI: 10.1038/nature13831

[3] A.M. Ziatdinov, Nanographites, their compounds, and film structures, Russ. Chem. Bull. 64 (2015) 1-14.

DOI: 10.1007/s11172-015-0812-y

[4] A. Kinikar, T.P. Sai, S. Bhattacharyya, A. Agarwala, T. Biswas, S.K. Sarker, H.R. Krishnamurthy, M. Jain, V.B. Shenoy, A. Ghosh, Quantized edge modes in atomic-scale point contacts in graphene, Nat. Nanotechnol. 12 (2017) 564-568.

DOI: 10.1038/nnano.2017.24

[5] A.M. Ziatdinov, N.S. Saenko, P.G. Skrylnik, Molecular and electronic structures and magnetic properties of multilayer graphene nanoclusters and their changes under the influence of adsorbed molecules, Russ. Chem. Bull. 66 (2017) 837-848.

DOI: 10.1007/s11172-017-1816-6

[6] A.M. Ziatdinov, P.G. Skrylnik, N.S. Saenko, The influence of an adsorbate and edge covalent bonds on topological zero modes in few-layer nanographenes, Phys. Chem. Chem. Phys. 19 (2017) 26957-26968.

DOI: 10.1039/c7cp03423g

[7] R. Das, M.E. Ali, S.B.A. Hamid, Current applications of X-ray powder diffraction - A review, Rev. Adv. Mater. Sci. 38 (2014) 95-109.

[8] H. Fujimoto, Theoretical X-ray scattering intensity of carbons with turbostratic stacking and AB stacking structures, Carbon. 41 (2003) 1585-1592.

DOI: 10.1016/s0008-6223(03)00116-7

[9] A.J.C. Wilson, On variance as a measure of line broadening in diffractometry: effect of a distribution of sizes on the apparent crystallite size, J. Appl. Cryst. 1 (1968) 194-196.

DOI: 10.1107/s0021889868005315

[10] C. Sisu, R. Iordanescu , V. Stanciu, I. Stefanescu, A.M. Vlaicu, V.V. Grecu, Raman spectroscopy studies of some carbon molecular sieves, Dig. J. Nanomater. Bios. 11 (2016) 435-442.

[11] B.E. Warren, X-ray diffraction in random layer lattices, Phys. Rev. 59 (1941) 693-698.

DOI: 10.1103/physrev.59.693

[12] N. Iwashita, C.R. Park, H. Fujimoto, M. Shiraishi, M. Inagaki, Specification for a standard procedure of X-ray diffraction measurements on carbon materials, Carbon. 42 (2004) 701-714.

DOI: 10.1016/j.carbon.2004.02.008

[13] H. Fujimoto, A. Mabuchi, K. Tokumitsu, T. Kasuh, N. Akuzawa, Effect of crystallite size on the chemical compositions of the stage 1 alkali metal-graphite intercalation compounds, Carbon. 32 (1994) 193-198.

DOI: 10.1016/0008-6223(94)90182-1

[14] R.K. Boruah, B.K. Saikia, B.P. Baruah, N.C. Dey, X-ray scattering study of the average polycyclic aromatic unit in Ledo coal, J. Appl. Crystallogr. 41 (2008) 27-30.

DOI: 10.1107/s0021889807049655

[15] L. Biennier, R. Georges, V. Chandrasekaran, B. Rowe, T. Bataille, V. Jayaram, K.P.J. Reddy, E. Arunan, Characterization of circumstellar carbonaceous dust analogues produced by pyrolysis of acetylene in a porous graphite reactor, Carbon. 47 (2009).

DOI: 10.1016/j.carbon.2009.07.050

[16] H. Fujimoto, M. Shiraishi Characterization of unordered carbon using Warren–Bodenstein's equation, Carbon. 39 (2001) 1753-1761.

DOI: 10.1016/s0008-6223(00)00308-0

[17] S.J. Mu, Y.C. Su, L.H. Xiao, S.D. Liu, T. Hu, H.B. Tang, X-ray diffraction pattern of graphite oxide, Chinese Phys. Lett. 30 (2013) 096101.

DOI: 10.1088/0256-307x/30/9/096101

[18] T.W. Zerda, W. Xu, H. Yang, M. Gerspacher, The effects of heating and cooling rates on the structure of carbon black particles, Rubber Chem. Technol. 71 (1998) 26-37.

DOI: 10.5254/1.3538469

[19] E.A. Belenkov, Formation of graphite structure in carbon crystallites, Inorg. Mater. 37 (2001) 928-934.

[20] S.K. Nayak, R. Sathishkumar, T.N.G. Row, Directing role of functional groups in selective generation of C–H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives, CrystEngComm. 12 (2010) 3112-3118.

DOI: 10.1039/c001190h

[21] T.M. Krygowski, M. Cyranski, A. Ciesielski, B. Swirska, P. Leszczynski, Separation of the energetic and geometric contributions to aromaticity. 2. Analysis of the aromatic character of benzene rings in their various topological environments in the benzenoid hydrocarbons. Crystal and molecular structure of coronene, J. Chem. Inf. Model. 36 (1996).

DOI: 10.1002/chin.199711260

[22] R.W. Lynch, H.G. Drickamer, Effect of high pressure on the lattice parameters of diamond, graphite, and hexagonal boron nitride, J. Chem. Phys. 44 (1966) 181-184.

DOI: 10.1063/1.1726442

[23] K. He, G.D. Lee, A.W. Robertson, E. Yoon, J.H. Warner, Hydrogen-free graphene edges, Nat. Commun. 5 (2014) 1-7.

[24] Z.Q. Li, C.J. Lu, Z.P. Xia, Y. Zhou, Z. Luo, X-ray diffraction patterns of graphite and turbostratic carbon, Carbon. 45 (2007) 1686-1695.

DOI: 10.1016/j.carbon.2007.03.038