Structural Features Investigation of a Highly Dispersed NiO–SiO2 Catalyst by X-Ray Analysis of the Atomic Pair Distribution Function

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Abstract

In the present work NiO and NiO–SiO2 were investigated by X-ray diffraction and radial atomic pair distribution methods. By X-ray diffraction method, it was determined that the NiO particle sizes have coherent scattering region of more than 100 nm, while the NiO–SiO2 sample has a particle size of about 2–3 nm. At the same time, full-profile Rietveld simulation does not describe the effects observed on diffraction: the asymmetry of peaks, the appearance of an additional shoulder of peak 111 in the area of small angles, so the radial atomic pair distribution method was used to analyze the structure. During the simulation of the experimental atomic pair distribution curve, 3 different models were used: pure NiO, a mixture of NiO and Ni2SiO4, and a modified NiO model with Si embedded in the lattice. The latter model was created based on the assumption of silicon incorporation into the NiO structure, which can be evidenced by X-ray diffraction data. According to the results of radial atomic pair distribution modeling it is the latter model that gives the best description of the observed effects: significantly increased unit cell parameter, compared to the sample without SiO2 addition, as well as decreased metal cation–oxygen distances in the structure, while cation–cation distances are increased.

About the authors

M. D. Mikhnenko

Boreskov Institute of Catalysis, SB RAS; Novosibirsk State University

Author for correspondence.
Email: m.mikhnenko@catalysis.ru
Russian Federation, Novosibirsk; Novosibirsk

S. V. Cherepanova

Boreskov Institute of Catalysis, SB RAS

Email: m.mikhnenko@catalysis.ru
Russian Federation, Novosibirsk

A. N. Shmakov

Boreskov Institute of Catalysis, SB RAS

Email: m.mikhnenko@catalysis.ru
Russian Federation, Novosibirsk

M. V. Alekseeva

Boreskov Institute of Catalysis, SB RAS

Email: m.mikhnenko@catalysis.ru
Russian Federation, Novosibirsk

R. G. Kukushkin

Boreskov Institute of Catalysis, SB RAS

Email: m.mikhnenko@catalysis.ru
Russian Federation, Novosibirsk

V. A. Yakovlev

Boreskov Institute of Catalysis, SB RAS

Email: m.mikhnenko@catalysis.ru
Russian Federation, Novosibirsk

V. P. Pakharukova

Boreskov Institute of Catalysis, SB RAS; Novosibirsk State University

Email: m.mikhnenko@catalysis.ru
Russian Federation, Novosibirsk; Novosibirsk

O. A. Bulavchenko

Boreskov Institute of Catalysis, SB RAS; Novosibirsk State University

Email: m.mikhnenko@catalysis.ru
Russian Federation, Novosibirsk; Novosibirsk

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