Hydrogen in nonstoichiometric cubic titanium monoxides: X-ray and neutron diffraction, neutron vibrational spectroscopy and NMR studies
Электронный научный архив УРФУ
Информация об архиве | Просмотр оригинала| Поле | Значение | |
| Заглавие |
Hydrogen in nonstoichiometric cubic titanium monoxides: X-ray and neutron diffraction, neutron vibrational spectroscopy and NMR studies
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| Автор |
Skripov, A. V.
Soloninin, A. V. Valeeva, A. A. Gusev, A. I. Rempel, A. A. Wu, H. Udovic, T. J. |
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| Тематика |
A: HYDROGEN ABSORBING MATERIALS
C: CRYSTAL STRUCTURE D: INELASTIC NEUTRON SCATTERING D: NEUTRON DIFFRACTION D: NUCLEAR RESONANCES ENERGY HARVESTING ENERGY TRANSFER HYDROGEN OXYGEN SOLAR ENERGY SOLAR POWER GENERATION TEMPERATURE TITANIUM DIOXIDE TRANSITION METALS A: HYDROGEN ABSORBING MATERIAL C: CRYSTAL STRUCTURE D: INELASTIC NEUTRON SCATTERING D: NEUTRON DIFFRACTION D: NUCLEAR RESONANCE LOWS-TEMPERATURES NEUTRON VIBRATIONAL SPECTROSCOPY PROPERTY TIO TITANIUM MONOXIDE CRYSTAL STRUCTURE |
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| Описание |
Hydrogen-induced changes in the properties of transition-metal oxides have attracted much recent attention due to numerous applications of these materials including catalysis, H2 production, low-temperature H2 sensing, solar cells, and air purification. However, basic properties of hydrogenated titanium monoxides have not been investigated so far. In the present work, we report the results of the first studies of the crystal structure, vibrational spectra, and mobility of H atoms in TiO0.72H0.30 and TiO0.96H0.14 using X-ray diffraction (XRD), neutron powder diffraction, neutron vibrational spectroscopy, and nuclear magnetic resonance (NMR). The hydrogenated compound TiO0.72H0.30 is found to retain the disordered cubic B1-type structure of the initial titanium monoxide, where H atoms exclusively occupy vacancies in the oxygen sublattice. It has been revealed that hydrogenation of the disordered cubic TiO0.96 leads to the formation of the two-phase compound TiO0.96H0.14, where the disordered B1-type phase coexists with the monoclinic phase of Ti5O5 type with an ordered arrangement of vacancies. In both phases, H atoms are found to occupy only vacancies in the oxygen sublattice. The low-temperature inelastic neutron scattering spectra of TiO0.72H0.30 and TiO0.96H0.14 in the energy transfer range of 40–180 meV exhibit a single peak due to optical oxygen vibrations (centered on about 60 meV) and a broad structure at 90–170 meV due to optical H vibrations. The unusual width of this structure can be attributed to the broken symmetry of hydrogen sites in the titanium monoxides: because of the presence of vacancies in the titanium sublattice, the actual point symmetry of these sites appears to be lower than octahedral. Proton NMR measurements have revealed that both hydrogenated compounds are metallic; no signs of hydrogen diffusive motion in TiO0.72H0.30 and TiO0.96H0.14 at the frequency scale of about 105 s-1 have been found up to 370 K. © 2021 Elsevier B.V.
National Institute of Standards and Technology, NIST Russian Foundation for Basic Research, РФФИ, (19-03-00051a) Funding text 1: This work was performed within the assignment of the Russian Federal Scientific Program “Function” No. AAAA-A19-119012990095-0 (AVS). It was also carried out according to the state assignment for IMET UB RAS (AAR) and supported by the Russian Foundation for Basic Research, grant No. 19-03-00051a (AAV). The authors acknowledge the use of the high-resolution powder diffractometer and filter-analyzer neutron spectrometer at the NIST Center for Neutron Research in support of this work. Funding text 2: This work was performed within the assignment of the Russian Federal Scientific Program “Function” No. AAAA-A19-119012990095-0 (AVS). It was also carried out according to the state assignment for IMET UB RAS (AAR) and supported by the Russian Foundation for Basic Research, grant No. 19-03-00051a (AAV). The authors acknowledge the use of the high-resolution powder diffractometer and filter-analyzer neutron spectrometer at the NIST Center for Neutron Research in support of this work. |
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| Дата |
2024-04-22T15:53:12Z
2024-04-22T15:53:12Z 2021 |
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| Тип |
Article
Journal article (info:eu-repo/semantics/article) info:eu-repo/semantics/acceptedVersion |
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| Идентификатор |
Skripov, AV, Soloninin, AV, Valeeva, AA, Gusev, AI, Rempel, AA, Wu, H & Udovic, TJ 2021, 'Hydrogen in nonstoichiometric cubic titanium monoxides: X-ray and neutron diffraction, neutron vibrational spectroscopy and NMR studies', Journal of Alloys and Compounds, Том. 887, 161353. https://doi.org/10.1016/j.jallcom.2021.161353
Skripov, A. V., Soloninin, A. V., Valeeva, A. A., Gusev, A. I., Rempel, A. A., Wu, H., & Udovic, T. J. (2021). Hydrogen in nonstoichiometric cubic titanium monoxides: X-ray and neutron diffraction, neutron vibrational spectroscopy and NMR studies. Journal of Alloys and Compounds, 887, [161353]. https://doi.org/10.1016/j.jallcom.2021.161353 0925-8388 Final All Open Access; Bronze Open Access http://manuscript.elsevier.com/S0925838821027626/pdf/S0925838821027626.pdf http://manuscript.elsevier.com/S0925838821027626/pdf/S0925838821027626.pdf http://elar.urfu.ru/handle/10995/132408 47008524 10.1016/j.jallcom.2021.161353 85111931306 697520400005 |
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| Язык |
en
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| Права |
Open access (info:eu-repo/semantics/openAccess)
publisher-specific-oa |
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| Формат |
application/pdf
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| Издатель |
Elsevier Ltd
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| Источник |
Journal of Alloys and Compounds
Journal of Alloys and Compounds |
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