Related papers: Stable Xenon Nitride at High Pressures
Xenon, which is quite inert under ambient conditions, may become reactive under pressure. The possibility of formation of stable xenon oxides and silicates in the interior of the Earth could explain the atmospheric missing xenon paradox.…
Although Xe is known to form stable compounds with strong electronegative elements, evidence on the formation of stable compounds with electropositive elements, such as Fe and Ni, was missing until very recently. In addition to the…
The pressure-induced transformation of diatomic nitrogen into non-molecular polymeric phases may produce potentially useful high-energy-density materials. We combine first-principles calculations with structure searching to predict a new…
Nitrogen hydrides, including ammonia (NH3), hydrazine (N2H4), hydrazoic acid (HN3) and etc, are compounds of great fundamental and applied importance. Their high-pressure behavior is important because of their abundance in giant planets and…
A growing body of theoretical and experimental evidence suggests that inert gases (He, Ne, Ar, Kr, Xe, Rn) become less and less inert under increasing pressure. Here we use the ab initio evolutionary algorithm to predict stable compounds of…
Carbon monoxide and nitrogen are among the potentially interesting high-energy density materials. However, in spite of the physical similarities of the molecules, they behave very differently at high pressures. Using density functional…
Polynitrogen compounds have attracted great interest due to their potential applications as high energy density materials. Most recently, a rich variety of alkali polynitrogens (R_{x}N_{y}; R=Li, Na, and Cs) have been predicted to be stable…
We have studied by means of high-pressure x-ray diffraction the structural stability of Ni2Mo3N, Co3Mo3N, and Fe3Mo3N. We also report ab initio computing modeling of the high-pressure properties of these compounds, Pd2Mo3N, and Pt2Mo3N. We…
The metal-based noble gas compounds exhibit interesting behavior of electronic valence states under pressure. For example, Xe upon compression can gain electrons from the alkali metal, or lose electrons unexpectedly to Fe and Ni, toward…
Transition metal nitrides have been suggested to have both high hardness and good thermal stability with large potential application value, but so far stable superhard transition metal nitrides have not been synthesized. Here, with our…
Noble gases provide tracers of cosmic provenance that are accessible to a future Uranus Atmospheric Probe. Argon and krypton are expected to be well-mixed on Uranus with respect to H$_2$ and He, although condensation at the winter pole may…
Nitrogen oxides are textbook class of molecular compounds, with extensive industrial applications. Nitrogen and oxygen are also among the most abundant elements in the universe. We explore the N-O system at 0 K and up to 500 GPa though ab…
Pressure significantly modifies the microscopic interactions in condense phase, leading to new patterns of bonding and unconventional chemistry. Both argon and xenon possess closed-shell electronic structures, which renders them chemically…
The reactivity of noble gas elements is important for both fundamental chemistry and geological science. The discovery of the oxidation of Xe extended the doctrinal boundary of chemistry that a complete shell is inert to reaction. The…
The zig-zag Nitrogen (N) chain similar to the Ch-N structure has long been considered a potential high energy density structure. However, all previously predicted zig-zag N chain structures similar to Ch-N exhibit imaginary frequencies in…
On account of the rapid development of noble gas chemistry in the past half-century both xenon and krypton compounds can now be isolated in macroscopic quantities. The same though does not hold true for the next lighter group 18 element,…
Polynitrogen molecules represent the ultimate high energy-density materials as they have a huge potential chemical energy originating from their high enthalpy. However, synthesis and storage of such compounds remain a big challenge because…
Metastable states of noble gas atoms are typically produced by electrical discharge techniques or "all-optical" excitation methods. Here we combine electrical discharges with optical pumping to demonstrate "optically enhanced" production of…
We investigated numerically the high-temperature/high-pressure phase diagram of Xenon as modelled through the exp-6 interaction potential, which is thought to provide a reliable description of the thermal behaviour of rare gases under…
Uranium nitrides have been the subject of intense research owing to their potential applications as advanced nuclear fuels. However, the phase diagram of the U-N system at low temperature and high pressure still remains unclear. In this…