Effect of the Size of ε-Fe2O3 Nanoparticles Embedded in SiO2 Silica Gel and Xerogel Matrices on the Features in FTIR Spectra | Sciact - CRIS-система Института катализа

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

Журнал

Infrared Physics & Technology
ISSN: 1350-4495 , E-ISSN: 1879-0275

Вых. Данные

Год: 2026, Том: 154, Номер статьи : 106387, Страниц : 8 DOI: 10.1016/j.infrared.2026.106387

Ключевые слова

ε-Fe2O3, Density functional theory, Nanomaterials, Fourier transform infrared spectra

Авторы

Pyastolova Yulia V. ¹ , Marchenko Anastasia A. ¹ , Tomilin Felix N. ¹ , Dubrovskiy Andrey A. ¹ , Balaev Dmitry A. ¹ , Martyanov Oleg N. ²

Организации

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

Информация о финансировании (1)

Российский научный фонд

24-12-20011

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.

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

Поступила в редакцию:	1 окт. 2025 г.
Принята к публикации:	6 янв. 2026 г.
Опубликована online:	14 янв. 2026 г.
Опубликована в печати:	1 мар. 2026 г.

OpenAlex:

W7124321945

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