Related papers: Stable magnesium peroxide at high pressure
Metallic hydrogen is expected to exhibit remarkable physics. Examples include high-temperature superconductivity and possible novel types of quantum fluids. These could have revolutionary practical applications. The pressures required to…
The surface functionalization of diamond has been extensively studied through a variety of techniques, such as oxidation. Several oxygen groups have been correspondingly detected on the oxidized diamond, such as COC (ester), CO (ketonic),…
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…
Density functional theory calculations demonstrate that rocksalt MgN is a magnetic material at the verge of half-metallicity, with an electronic structure robust against strong correlations and spin-orbit interaction. Furthermore the…
The appropriateness of including Hg among the transition metals has been debated for a long time. Although the synthesis of HgF$_{4}$ molecules in gas phase was reported before, the molecules show strong instabilities and dissociate.…
Carbon at extreme conditions is the focus of intensive scientific inquiry due to its importance for applications in inertial confinement fusion experiments and for understanding the interior structure of carbon-rich exoplanets. The extreme…
Computational searches for stable and metastable structures of water ice and other H:O compositions at TPa pressures have led us to predict that H$_2$O decomposes into H$_2$O$_2$ and a hydrogen-rich phase at pressures of a little over 5…
H2O is an important constituent in planetary bodies, controlling habitability and, in geologically-active bodies, plate tectonics. At pressures within the interior of many planets, the H-bonds in H2O collapse into stronger, ionic bonds.…
Using first-principles evolutionary simulations, we have systematically investigated phase stability in the Hf-O system at pressure up to 120 GPa. New compounds Hf5O2, Hf3O2, HfO and HfO3 are discovered to be thermodynamically stable at…
Recent observations of several planet-hosting M dwarfs show that most have FUV/NUV flux ratios 1000 times greater than that of the Sun. Here we show that the atmospheric oxygen contents (O2 and O3) of potentially habitable planets in this…
High-pressure can transform the structures and compositions of materials either by changing the relative strengths of bonds or by altering the oxidation states of atoms. Both effects cause unconventional compositions in novel compounds that…
Metastable LiMeO2-ZnO (Me = Fe3+, Ti3+) solid solutions with rock salt crystal structure have been synthesized by solid state reaction of ZnO with LiMeO2 complex oxides at 7.7 GPa and 1350-1450 K. Structure, phase composition, thermal…
X-ray diffraction with synchrotron radiation has been used for the first time to study chemical interaction in the MnO-ZnO system at 4.8 GPa and temperatures up to 1600 K. Above 750 K, the chemical reaction between MnO and ZnO has been…
The use of pressure to obtain new materials that can be recovered under ambient conditions is a central problem in high-pressure physics. Despite decades of research, this goal has only been achieved in the laboratory for a few notable…
We present globally inverted pressure-temperature (P-T) phase diagrams up to 5,000 GPa for four fundamental planetary materials, Fe, MgO, SiO2, and MgSiO3, derived from logistic regression and supervised learning, together with an…
We investigate the stability of super Earth atmospheres around M stars using a 7-parameter, analytical framework. We construct stability diagrams in the parameter space of exoplanetary radius versus semi-major axis and elucidate the regions…
NiO layers were grown on MgO(100), MgO(110), and MgO(111) substrates by plasma-assisted molecular beam epitaxy under Ni-flux limited growth conditions. Single crystalline growth with a cube-on-cube epitaxial relationship was confirmed by…
The formation of the giant planets in our solar system, and likely a majority of giant exoplanets, is commonly explained by the accretion of nebular hydrogen and helium onto a large core of terrestrial-like composition. The fate of this…
Improving reactivity on an insulating surface is crucial due to their important applications in surface catalytic reactions. In this work, we carried out first-principles calculations to investigate the adsorption of O2 on a single-layer…
At high pressure, the typical behavior of elements dictated by the periodic table - including oxidation numbers, stoichiometries in compounds, and reactivity, to name but a few - is altered dramatically. As pressure is applied, the…