Related papers: Novel high-pressure calcium carbonates
Nitrogen, carbon monoxide, and methane are key materials in the far outer Solar System where their high volatility enables them to sublimate, potentially driving activity at very low temperatures. Knowledge of their vapor pressures and…
We have investigated by means of high-pressure x-ray diffraction the structural stability of Pd2Mo3N, Ni2Mo3C0.52N0.48, Co3Mo3C0.62N0.38, and Fe3Mo3C. We have found that they remain stable in their ambient-pressure cubic phase at least up…
The Fe-Si-O ternary system, central to modeling the interiors of terrestrial planets, remains poorly constrained at Terapascal (TPa) pressures characteristic of super-Earth mantles. Using a combination of crystal-structure prediction and ab…
A quantitative understanding of the nature and composition of low-mass rocky (exo)planet atmospheres during their evolution is needed to interpret observations. The magma ocean stage of terrestrial- and sub-Neptune planets permits mass…
The Fe-O system is fundamental to understanding the composition and properties of the Earth's core. Recent studies have suggested the possible existence of stable, iron-rich FenO compounds at around 215 GPa. Here, we performed…
Nitrides, carbides and borides of transition metals are an attractive class of hard materials. Our recent preliminary explorations of the binary chemical compounds indicated that chromium-based materials are among the hardest transition…
Evolutionary algorithms and the particle swarm optimization method have been used to predict stable and metastable high hydrides of iron between 150-300 GPa that have not been discussed in previous studies. Cmca FeH5, Pmma FeH6 and P2/c…
Water and hydrogen at high pressure make up a substantial fraction of the interiors of giant planets. Using ab initio random structure search methods we investigate the ground-state crystal structures of water, hydrogen, and hydrogen-oxygen…
The Earth's crust is known to be depleted of gold, among other slightly heavy noble metals transported by magma from the Earth's mantle to the crust. The bulk silicate Earth (BSE) model also suggests significant depletion of Au in the…
We have developed a method for prediction of the hardest crystal structures in a given chemical system. It is based on the evolutionary algorithm USPEX (Universal Structure Prediction: Evolutionary Xtallography) and electronegativity-based…
We consider super-Earth sized planets which have a water mass fraction that is large enough to form an external mantle composed of high pressure water ice polymorphs and that lack a substantial H/He atmosphere. We consider such planets in…
Relative abundances of refractory elements in planets are commonly assumed to reflect those of their host stars. However, because elements are classified according to their behaviour in the solar nebula, this implicitly assumes condensation…
Molybdenum carbide (Mo2C) nanoparticles and thin films are particularly suitable catalysts for catalytic fast pyrolysis (CFP) as they are effective for deoxygenation and can catalyze certain reactions that typically occur on noble metals.…
Carbon dioxide is one of the major contributors to the radiative forcing, increasing both the temperature and the humidity of Earth's atmosphere. If the stellar irradiance increases and water becomes abundant in the stratosphere of an…
The role of carbon monoxide as a cooling agent for the thermal structure of the mid-photospheric to low-chromospheric layers of the solar atmosphere in internetwork regions is investigated. The treatment of radiative cooling via spectral…
The structural and magnetic properties of Mn5Ge3Cx films prepared at elevated substrate temperatures TS are investigated. In particular, films with x >= 0.5 and TS = 680 K exhibit a strongly enhanced Curie temperature TC = 440 K compared to…
Calcium carbonate (CaCO3) was synthesized from diverse water-free alcohol solutions, resulting in the formation of vaterite and calcite precipitates, or stable particle supensions, with dimension and morphology depending upon the condition…
Oxygen and other light elements comprise up to 5 wt% of the Earth's outer-core, and may significantly influence its physical properties and the operation of the geodynamo. Here we report in situ x-ray diffraction measurements of Fe, Fe +…
Mn3TeO6 exhibits a corundum-related A3TeO6 structure and a complex magnetic structure involving two magnetic orbits for the Mn atoms [*]. Mn3-xCdxTeO6 (x=0, 1, 1.5 and 2) ceramics were synthesized by solid state reaction and investigated…
Carbon is an essential element for the existence and evolution of life on Earth. Its abundance in Earth's crust and mantle (the Bulk Silicate Earth, BSE) is surprisingly high given that carbon is strongly siderophile (metal-loving) at low…