Ontology highlight
ABSTRACT:
SUBMITTER: Zaleski-Ejgierd P
PROVIDER: S-EPMC4735652 | biostudies-literature | 2016 Feb
REPOSITORIES: biostudies-literature
Scientific reports 20160202
Under high pressure, krypton, one of the most inert elements is predicted to become sufficiently reactive to form a new class of krypton compounds; krypton oxides. Using modern ab-initio evolutionary algorithms in combination with Density Functional Theory, we predict the existence of several thermodynamically stable Kr/O species at elevated pressures. In particular, our calculations indicate that at approx. 300 GPa the monoxide, KrO, should form spontaneously and remain thermo- and dynamically ...[more]