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Effect of the Size of ε-Fe2O3 Nanoparticles Embedded in SiO2 Silica Gel and Xerogel Matrices on the Features in FTIR Spectra Full article

Journal Infrared Physics & Technology
ISSN: 1350-4495 , E-ISSN: 1879-0275
Output data Year: 2026, Volume: 154, Article number : 106387, Pages count : 8 DOI: 10.1016/j.infrared.2026.106387
Tags ε-Fe2O3, Density functional theory, Nanomaterials, Fourier transform infrared spectra
Authors Pyastolova Yulia V. 1 , Marchenko Anastasia A. 1 , Tomilin Felix N. 1 , Dubrovskiy Andrey A. 1 , Balaev Dmitry A. 1 , Martyanov Oleg N. 2
Affiliations
1 Kirensky Institute of Physics, Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk 660036 Russia
2 Boreskov Institute of Catalysis, Siberian Branch, Russian Academy of Sciences, Novosibirsk 630090 Russia

Funding (1)

1 Russian Science Foundation 24-12-20011

Abstract: The spectral properties of ε-Fe2O3 nanoparticles of different sizes embedded in SiO2 silica gel and xerogel matrices have been investigated by vibrational spectroscopy in the frequency range of 380‒4000 cm‒1. The experimental data have been interpreted using the density functional theory calculation of the ε-Fe2O3 structure and phonon modes and the results obtained for the crystal, electronic, and vibrational structure have been found to agree well. Analysis of the dynamics of the spectra has shown that the main contribution to the IR spectra of ε-Fe2O3 nanoparticles in SiO2 silica gel and xerogel matrices is made by bending vibrations of the Fesingle bondOsingle bondFe bond in the octahedron and tetrahedron. It has been established that the fraction of hydrogen bonds for nanoparticles with an average size of ∼2 nm is greater than for coarser particles. With an increase in the nanoparticle size, the crystallinity of nanoparticles grows.
Cite: Pyastolova Y.V. , Marchenko A.A. , Tomilin F.N. , Dubrovskiy A.A. , Balaev D.A. , Martyanov O.N.
Effect of the Size of ε-Fe2O3 Nanoparticles Embedded in SiO2 Silica Gel and Xerogel Matrices on the Features in FTIR Spectra
Infrared Physics & Technology. 2026. V.154. 106387 :1-8. DOI: 10.1016/j.infrared.2026.106387 OpenAlex
Dates:
Submitted: Oct 1, 2025
Accepted: Jan 6, 2026
Published online: Jan 14, 2026
Published print: Mar 1, 2026
Identifiers:
OpenAlex: W7124321945
Citing: Пока нет цитирований
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