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Electrofreezing of Liquid Ammonia

Articolo
Data di Pubblicazione:
2022
Abstract:
Here we prove that, in addition to temperature and pressure, another important thermodynamic variable permits the exploration of the phase diagram of ammonia: the electric field. By means of (path integral) ab initio molecular dynamics simulations, we predict that, upon applying intense electric fields on ammonia, the electrofreezing phenomenon occurs, leading the liquid toward a novel ferroelectric solid phase. This study proves that electric fields can generally be exploited as the access key to otherwise-unreachable regions in phase diagrams, unveiling the existence of new condensed-phase structures. Furthermore, the reported findings have manifold practical implications, from the safe storage and transportation of ammonia to the understanding of the solid structures this compound forms in planetary contexts.
Tipologia CRIS:
01.01 Articolo in rivista
Keywords:
ammonia; phase transitions; electric field; ab initio molecular dynamics
Elenco autori:
Saija, Franz; Cassone, Giuseppe
Autori di Ateneo:
CASSONE GIUSEPPE
SAIJA FRANZ
Link alla scheda completa:
https://iris.cnr.it/handle/20.500.14243/414556
Pubblicato in:
THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS
Journal
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URL

https://pubs.acs.org/doi/10.1021/acs.jpclett.2c02576
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