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Investigation of the Structure of Highly Dispersed NiO–SiO2 Catalyst Features Using X-Ray Analysis of the Atomic Pair Distribution Function Full article

Journal Journal of Surface Investigation: X-Ray, Synchrotron and Neutron Techniques
ISSN: 1027-4510 , E-ISSN: 1819-7094
Output data Year: 2024, Volume: 18, Number: 3, Pages: 641-647 Pages count : 7 DOI: 10.1134/s1027451024700241
Tags structure, defects, method of atomic-pair radial distribution, diffraction, nickel oxide, synchrotron radiation, simulation
Authors Mikhnenko M.D. 1,2 , Cherepanova S.V. 1 , Shmakov A.N. 1,3 , Alekseeva M.V. 1 , Kukushkin R.G. 1 , Yakovlev V.A. 1 , Pakharukova V.P. 1,2 , Bulavchenko O.A. 1,2
Affiliations
1 Federal Research Center Boreskov Institute of Catalysis, Siberian Branch, Russian Academy of Sciences, Novosibirsk, 630090 Russia
2 Novosibirsk National Research State University, Novosibirsk, 630090 Russia
3 Center for Collective Use “Siberian Circular Photon Source (SKIF)”, Boreskov Institute of Catalysis, Kol’tsovo, 630559 Russia

Funding (1)

1 Ministry of Science and Higher Education of the Russian Federation FWUR-2024-0032

Abstract: In this work, NiO and NiO–SiO2 are studied using X-ray diffraction and the method of atomic-pair radial distribution. Using X-ray phase analysis, it is determined that the sizes of NiO particles have a coherent-scattering region of more than 100 nm, while the NiO–SiO2 sample has particle sizes of about 2–3 nm. However, full-profile simulation using the Rietveld method does not allow one to describe the effects observed during diffraction: asymmetry of the peaks, the appearance of an additional shoulder of peak 111 in the region of small angles; therefore, the method of atomic-pair radial distribution is used to analyze the structure. When simulating the experimental curve of the atomic-pair radial distribution, 3 different models are used: pure NiO, a mixture of NiO and Ni2SiO4, as well as a modified NiO model with Si embedded into the crystal lattice. The latter model is created based on the assumption of the incorporation of silicon into the NiO structure, as can be evidenced by the X-ray diffraction data. According to the results of simulation of the curve of the atomic-pair radial distribution, it is the latter model that provides the best description of the observed effects: a significantly increased unit-cell parameter in comparison with the sample without the addition of SiO2, as well as decreased cation–oxygen distances in the structure while the distances between cations are increased.
Cite: Mikhnenko M.D. , Cherepanova S.V. , Shmakov A.N. , Alekseeva M.V. , Kukushkin R.G. , Yakovlev V.A. , Pakharukova V.P. , Bulavchenko O.A.
Investigation of the Structure of Highly Dispersed NiO–SiO2 Catalyst Features Using X-Ray Analysis of the Atomic Pair Distribution Function
Journal of Surface Investigation: X-Ray, Synchrotron and Neutron Techniques. 2024. V.18. N3. P.641-647. DOI: 10.1134/s1027451024700241 WOS Scopus РИНЦ AN OpenAlex
Dates:
Submitted: Dec 30, 2023
Accepted: Feb 18, 2024
Published print: Jun 1, 2024
Published online: Jul 15, 2024
Identifiers:
Web of science: WOS:001277999100027
Scopus: 2-s2.0-85198621853
Elibrary: 68538690
Chemical Abstracts: 2024:1557064
OpenAlex: W4400654578
Citing: Пока нет цитирований
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