Electrofreezing of Liquid Ammonia

被引:14
作者
Cassone, Giuseppe [3 ]
Sponer, Jiri [1 ,2 ]
Sponer, Judit E. [1 ]
Saija, Franz [3 ]
机构
[1] Czech Acad Sci, Inst Biophys, Brno 61265, Czech Republic
[2] Palacky Univ Olomouc, Czech Adv Technol & Res Inst CATRIN, Reg Ctr Adv Technol & Mat, Olomouc 77900, Czech Republic
[3] Natl Res Council Italy, Inst Chem Phys Proc, I-98158 Messina, Italy
关键词
ELECTRIC-FIELDS; MOLECULAR-DYNAMICS; WATER; ATMOSPHERE; CRYSTALLIZATION; NUCLEATION; CATALYSIS; CRYSTALS; ORDER;
D O I
10.1021/acs.jpclett.2c02576
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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.
引用
收藏
页码:9889 / 9894
页数:6
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