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

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F22%3A00566631" target="_blank" >RIV/68378271:_____/22:00566631 - isvavai.cz</a>

Alternative codes found

RIV/00216208:11320/22:10443286

Result on the web

<a href="https://doi.org/10.1039/d1cp05338h" target="_blank" >https://doi.org/10.1039/d1cp05338h</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/d1cp05338h" target="_blank" >10.1039/d1cp05338h</a>

Result language

angličtina

Original language name

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

Original language description

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.

Czech name

—

Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Project

Result was created during the realization of more than one project. More information in the Projects tab.

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2022

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Physical Chemistry Chemical Physics

ISSN

1463-9076

e-ISSN

1463-9084

Volume of the periodical

24

Issue of the periodical within the volume

11

Country of publishing house

GB - UNITED KINGDOM

Number of pages

15

Pages from-to

6890-6904

UT code for WoS article

000765408600001

EID of the result in the Scopus database

2-s2.0-85127200454