Related papers: Novel high-pressure calcium carbonates
This work presents an in-depth investigation of the properties of complexes composed of hydrogen, silicon or oxygen with carbon, which are major unintentional impurities in undoped GaN. This manuscript is a complement to our previous work…
Search of materials with C-N composition hold a great promise in creating materials which would rival diamond in hardness due to the very strong and relatively low-ionic C-N bond. Early experimental and theoretical works on C-N compounds…
Two novel three-dimensional (3D) crystal structures of carbon (C) and germanium carbide (GeC2) were predicted using first-principles density-functional theory (DFT) calculations. These newly discovered 3D carbon allotrope and GeC2 are in…
Atmospheric energy transport is central to the cooling of primordial magma oceans. Theoretical studies of atmospheres on lava planets have assumed that convection is the only process involved in setting the atmospheric temperature…
Traditionally, the condensation sequence of circumstellar dust is predicted based on the thermodynamic stabilities of specific condensates in the macroscopic bulk phase. However, at the (sub-)nanometer scale clusters with non-crystalline…
Aims: The long-term carbon cycle for planets with a surface entirely covered by oceans works differently from that of the present-day Earth because inefficient erosion leads to a strong dependence of the weathering rate on the rate of…
Most of hydrocarbons are either molecular structures or linear polymeric chains. Discovery of graphene and manufacturing of its monohydride -- graphane incite interest in search for three-dimensional hydrocarbon polymers. However up to now…
Carbon foams are hypothetical carbon allotropes that contain graphite-like (sp$^2$ carbon) segments, connected by sp$^3$ carbon atoms, resulting in porous structures. In this work the DFTB (Density Functional based Tight-Binding) method…
From core to atmosphere, the oxidation states of elements in a planet shape its character. Oxygen fugacity (fO$_2$) is one parameter indicating these likely oxidation states. The ongoing search for atmospheres on rocky exoplanets benefits…
The exceptional ability of carbon to form sp2 and sp3 bonding states leads to a great structural and chemical diversity of carbon-bearing phases at non-ambient conditions. Here we use laser-heated diamond anvil cells combined with…
C-H-N-O system is central for organic chemistry and biochemistry, and plays a major role in planetary science (dominating the composition of "ice giants" Uranus and Neptune). The inexhaustible chemical diversity of this system at normal…
Volatile molecules containing hydrogen, carbon, and nitrogen are key components of planetary atmospheres. In the pebble accretion model for rocky planet formation, these volatile species are accreted during the main planetary formation…
Ferromagnesite (Mg,Fe)CO3, also referred to as magnesiosiderite at high iron concentration, is a solid solution of magnesite (MgCO3) and siderite (FeCO3). Ferromagnesite is believed to enter the Earth's lower mantle via subduction and is…
While Earth locks much of its carbon in its crust as carbonates, Venus retains a comparable carbon inventory almost entirely in its atmosphere as CO$_2$. On Earth, the geological carbon cycle that has produced this vast crustal carbonate…
The thermodynamic behavior of calcium oxide (\ce{CaO}) under high temperature and pressure conditions is critical for understanding the physics of planetary interiors. This study employs molecular dynamics (MD) simulations, including both…
The abundant chemical compositions in ternary hydrides bring much more possibility to explore high temperature superconductors under lower pressure. Here we constructed 115 ternary hydrides on the basis of the elements substitution using 16…
Over the last decade, substantial efforts have been devoted to understanding the stability properties, transport phenomena, and long-term evolution of weakly-collisional, magnetized plasmas which are stratified in temperature. These studies…
The abundances of atmospheric carbon species--carbon dioxide (CO2), carbon monoxide (CO), and methane (CH4)--exert fundamental controls on the climate, redox state, and prebiotic environment of terrestrial planets. As exoplanet atmospheric…
Carbon dioxide fixation and storage constitute a drastically important problem for the humanity nowadays. We hereby publish a new solution based on the alkaline earth salts with a weakly coordinating anion,…
First-principles calculations were carried out to provide a chemical basis for proposed structures associated with the recently reported room-temperature superconductivity in a carbonaceous sulfur hydride material under pressure.…