Single-particle and collective excitations of polar water molecules confined in nano-pores within a cordierite crystal lattice

Belyanchikov, M. A.; Bedran, Z.V.; Savinov, Maxim; Bednyakov, Petr; Proschek, P.; Prokleška, J.; Abalmasov, V.A.; Zhukova, E.S.; Thomas, V.G.; Dudka, A.; Zhugayevych, A.; Petzelt, Jan; Prokhorov, A. S.; Anzin, V.B.; Kremer, R. K.; Fischer, J.K.H.; Lunkenheimer, P.; Loidl, A.; Uykur, E.; Dressel, M.; Gorshunov, B.

doi:https://dx.doi.org/10.1039/d1cp05338h

Number of the records: 1

Single-particle and collective excitations of polar water molecules confined in nano-pores within a cordierite crystal lattice

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SYSNO ASEP	0566631
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Single-particle and collective excitations of polar water molecules confined in nano-pores within a cordierite crystal lattice
Author(s)	Belyanchikov, M. A. (RU) Bedran, Z.V. (RU) Savinov, Maxim (FZU-D)_{RID, ORCID} Bednyakov, Petr (FZU-D)_{RID, ORCID} Proschek, P. (CZ) Prokleška, J. (CZ) Abalmasov, V.A. (RU) Zhukova, E.S. (RU) Thomas, V.G. (RU) Dudka, A. (RU) Zhugayevych, A. (RU) Petzelt, Jan (FZU-D)_{RID, ORCID, SAI} Prokhorov, A. S. (RU) Anzin, V.B. (RU) Kremer, R. K. (DE) Fischer, J.K.H. (DE) Lunkenheimer, P. (DE) Loidl, A. (DE) Uykur, E. (DE) Dressel, M. (RU) Gorshunov, B. (RU)
Number of authors	21
Source Title	Physical Chemistry Chemical Physics. - : Royal Society of Chemistry - ISSN 1463-9076 Roč. 24, č. 11 (2022), s. 6890-6904
Number of pages	15 s.
Language	eng - English
Country	GB - United Kingdom
Keywords	classcial anharmonic-oscillator ; square ise ; dynamic susceptibility ; ferroelectric ice ; quantum ; transition ; diffusion ; behavior ; surface
Subject RIV	BM - Solid Matter Physics ; Magnetism
OECD category	Condensed matter physics (including formerly solid state physics, supercond.)
R&D Projects	GA20-01527S GA ČR - Czech Science Foundation (CSF)
Method of publishing	Limited access
Institutional support	FZU-D - RVO:68378271
UT WOS	000765408600001
EID SCOPUS	85127200454
DOI	10.1039/d1cp05338h
Annotation	In the present work, comprehensive broad-band dielectric spectroscopy is combined with specific heat studies and molecular dynamics and Monte Carlo simulations in order to investigate in more detail the collective modes and single-particle excitations of nanoconfined water molecules. From DFT-MD simulations we reconstruct the potential-energy landscape experienced by the H2O molecules. A rich set of anisotropic temperature-dependent excitations is observed in the terahertz frequency range. Their origin is associated with the complex rotational/translational vibrations of confined H2O molecules. A strongly temperature dependent relaxational excitation, observed at radio-microwave frequencies for E\|\|a is analyzed in detail. The temperature dependences of loss-peak frequency and dielectric strength of the excitation together with specific heat data confirm a ferroelectric order–disorder phase transition in the network of H2O dipoles. Additional data are also provided for E\|\|b.
Workplace	Institute of Physics
Contact	Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579
Year of Publishing	2023
Electronic address	https://doi.org/10.1039/d1cp05338h

Number of the records: 1