Heterogeneous Electrofreezing of Super-Cooled Water on Surfaces of Pyroelectric Crystals is Triggered by Trigonal Planar Ions

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F20%3A10423858" target="_blank" >RIV/00216208:11320/20:10423858 - isvavai.cz</a>

Výsledek na webu

<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=02dkLIfD_E" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=02dkLIfD_E</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1002/anie.202006435" target="_blank" >10.1002/anie.202006435</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Heterogeneous Electrofreezing of Super-Cooled Water on Surfaces of Pyroelectric Crystals is Triggered by Trigonal Planar Ions

Popis výsledku v původním jazyce

Electrofreezing experiments of super-cooled water (SCW) with different ions, performed directly on the charged hemihedral faces of pyroelectric LiTaO(3)and AgI crystals, in the presence and in the absence of pyroelectric charge are reported. It is demonstrated that bicarbonate (HCO3-) ions elevate the icing temperature near the positively charged faces. In contrast, the hydronium (H3O+) slightly reduces the icing temperature. Molecular dynamics simulations suggest that the hydrated trigonal planar HCO(3)(-)ions self-assemble with water molecules near the surface of the AgI crystal as clusters of slightly different configuration from those of the ice-like hexagons. These clusters, however, have a tendency to serve as embryonic nuclei for ice crystallization. Consequently, we predicted and experimentally confirmed that the trigonal planar ions of NO(3)(-)and guanidinium (Gdm(+)), at appropriate concentrations, elevate the icing temperature near the positive and negative charged surfaces, respectively. On the other hand, the Cl(-)and SO(4)(2-)ions of different configurations reduce the icing temperature.

Název v anglickém jazyce

Heterogeneous Electrofreezing of Super-Cooled Water on Surfaces of Pyroelectric Crystals is Triggered by Trigonal Planar Ions

Popis výsledku anglicky

Electrofreezing experiments of super-cooled water (SCW) with different ions, performed directly on the charged hemihedral faces of pyroelectric LiTaO(3)and AgI crystals, in the presence and in the absence of pyroelectric charge are reported. It is demonstrated that bicarbonate (HCO3-) ions elevate the icing temperature near the positively charged faces. In contrast, the hydronium (H3O+) slightly reduces the icing temperature. Molecular dynamics simulations suggest that the hydrated trigonal planar HCO(3)(-)ions self-assemble with water molecules near the surface of the AgI crystal as clusters of slightly different configuration from those of the ice-like hexagons. These clusters, however, have a tendency to serve as embryonic nuclei for ice crystallization. Consequently, we predicted and experimentally confirmed that the trigonal planar ions of NO(3)(-)and guanidinium (Gdm(+)), at appropriate concentrations, elevate the icing temperature near the positive and negative charged surfaces, respectively. On the other hand, the Cl(-)and SO(4)(2-)ions of different configurations reduce the icing temperature.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10102 - Applied mathematics

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2020

Kód důvěrnosti údajů

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

Název periodika

Angewandte Chemie - International Edition

ISSN

1433-7851

e-ISSN

—

Svazek periodika

59

Číslo periodika v rámci svazku

36

Stát vydavatele periodika

DE - Spolková republika Německo

Počet stran výsledku

5

Strana od-do

15575-15579

Kód UT WoS článku

000558051600001

EID výsledku v databázi Scopus

2-s2.0-85089247625