Growth and equilibrium morphology of hydrohalite (NaCl·2H2O) and its epitaxy with hexagonal ice crystals

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Marco E. Ciriotti
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Iscritto il: ven 25 giu, 2004 11:31
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Growth and equilibrium morphology of hydrohalite (NaCl·2H2O) and its epitaxy with hexagonal ice crystals

Messaggio da Marco E. Ciriotti » lun 26 apr, 2021 10:45

Referenza:
▪ Aquioano, D., Bruno, M., Pastero, L., Ghignone, S. (2021): Growth and Equilibrium Morphology of Hydrohalite (NaCl·2H2O) and Its Epitaxy with Hexagonal Ice Crystals. Journal of Physical Chemistry C, 125, 6923−6932.

Abstract:
The experimental growth morphology of NaCl·2H2O, mineral hydrohalite (HH), is compared with that calculated at equilibrium, at 0 K. The HH surface structure is theoretically investigated through the Hartman−Perdok method: the growth characters of the different {hkl} forms are determined along with their possible surface profiles in order to calculate, at the DFT level, their specific surface energies in the presence of vacuum. The striking difference between the calculated equilibrium shape (ES) and the observed growth shape (GS) is interpreted on the ground of a privileged epi-adsorption of {00.1}, the most important form of hexagonal ice (Ih) on the observed dominant {010} form of HH. The sharp pseudohexagonality of the {010} HH-form (substrate) seems to be the keystone to understand the very good epitaxy with the {00.1} pinacoid (deposit) of Ice (Ih).

AUTHOR INFORMATION
Corresponding Author
Marco Bruno − Dipartimento di Scienze della Terra, Università
degli Studi di Torino, Torino 10125, Italy; SpectraLab s.r.l.,
Spin-off accademico dell’Università ̀degli Studi di Torino,
Torino 10135, Italy; orcid.org/0000-0002-0161-574X;
Email: marco.bruno@unito.it

Authors
Dino Aquilano − Dipartimento di Scienze della Terra,
Università ̀degli Studi di Torino, Torino 10125, Italy;
orcid.org/0000-0002-3908-928X
Linda Pastero − Dipartimento di Scienze della Terra,
Università degli Studi di Torino, Torino 10125, Italy;
SpectraLab s.r.l., Spin-off accademico dell’Universitàdegli
Studi di Torino, Torino 10135, Italy; orcid.org/0000-
0002-9453-9503
Stefano Ghignone − Dipartimento di Scienze della Terra,
Università ̀degli Studi di Torino, Torino 10125, Italy
Marco E. Ciriotti

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