MS24-P01 Diffraction effects of powder nano-scale materials Dmitriy Yatsenko (Novosibirsk State University, Boreskov Institute of Catalysis SB RAS, Novosibirsk, Russia) Sergey. Tsybulya (Novosibirsk State University, Boreskov Institute of Catalysis SB RAS, Novosibirsk, Russia)email:

Properties of nanomaterials are defined by features of the atomic structure and morphology. Investigation of crystal structure and nanostructure of such small objects is an actual problem. X-ray diffraction method can be used for this purpose. Anisotropic broadening of the diffraction peaks, redistribution of the intensities or appearance of diffuse scattering can appear for nanomaterials. Standard X-ray diffraction techniques used for bulk materials with periodic structures are often not applicable in this case.

These tasks can be solved by the Debye Function Analysis (DFA) method [1], based on Debye scattering equation (DSE) [2]. It is full-profile method which is applicable for any an arbitrary atoms collection, and therefore can be used for crystalline objects, non-crystalline materials or nanostructures.

Possibilities of modelling diffraction patterns by the DFA by our software [3] will be shown for specific examples of various nanocrystalline materials: hydroxides of magnesium and tungsten, layered structures, metastable forms of aluminum oxide, ultradispersed iron oxides     et al. [4]. It is public-domain software available on the website:



Program development was supported by Foundation for Assistance to Small Innovative Enterprises in science and technology program "the Youth Research and Innovation Competition" (UMNIK) 12349GU2/2016 N 3643. Investigations of the samples was conducted within the framework of the budget project АААА-А17-117041710079-8 for Boreskov Institute of Catalysis.


1. Tsybulya S.V., Yatsenko D.A. X-ray diffraction analysis of ultradisperse systems: The Debye formula. Journal of Structural Chemistry V 53, P S150-S165, 2012.

2. Debye P. “Zerstreuung von Röntgenstrahlen”. Annalen der Physik, 6: 351, 1915.

3. Yatsenko D. Tsybulya S. DIANNA (Diffraction Analysis of Nanopowders) – a software for structural analysis of nanosized powders. Zeitschrift für Kristallographie - Crystalline Materials, 2017. DOI: 10.1515/zkri-2017-2056. V. 233. N 1. P. 61-66.

4. Cherepanova S.V, Ancharova U.V, Bulavchenko O.A, Venediktova O.S, Gerasimov E.Y, Leontief N.N, Matvienko A.A, Maslennikov D.V, Pakharukova V.P, Sidelnikov A.A, Tsybulya S.V, Chizhik S.A, Yatsenko D.A. Nanostructured oxides. PPC NSU: Novosibirsk. 2016. 206 p.
Keywords: Nanomaterials, X-ray diffraction, Debye scattering equation.