![]() ![]() ![]() The occurrence of ionic phases is rationalized in terms of the relative ease of forming ammonium and amide ions from ammonia molecules, and the volume reduction on doing so. These ionic phases are predicted to be stable over a wide range of pressures readily obtainable in laboratory experiments. Ammonia is known to form hydrogen-bonded solids, but we predict that at higher pressures it will form ammonium amide ionic solids consisting of alternate layers of NH(4)(+) and NH(2)(-) ions. We predict new high-pressure crystalline phases of ammonia (NH(3)) through a computational search based on first-principles density-functional-theory calculations. As an archetypal hydrogen-bonded system, the properties of ammonia under pressure are of fundamental interest, and compressed ammonia has a significant role in planetary physics. Ammonia is an important compound with many uses, such as in the manufacture of fertilizers, explosives and pharmaceuticals. ![]()
0 Comments
Leave a Reply. |
AuthorWrite something about yourself. No need to be fancy, just an overview. ArchivesCategories |