相关论文: Tetrahedrally coordinated carbonates in Earth's lo…

Calcium and magnesium carbonates are believed to be the host compounds for most of the oxidized carbon in the Earth's mantle. Here, using evolutionary crystal structure prediction method USPEX, we systematically explore the MgO-CO2 and…

The stability, structure and properties of carbonate minerals at lower mantle conditions has significant impact on our understanding of the global carbon cycle and the composition of the interior of the Earth. In recent years, there has…

Investigating the fate of dissolved carbon dioxide under extreme conditions is critical to understanding the deep carbon cycle in the Earth, a process that ultimately influences global climate change. We used first-principles molecular…

The chemistry of carbon in aqueous fluids at extreme pressure and temperature conditions is of great importance to Earth's deep carbon cycle, which substantially affects the carbon budget at Earth's surface and global climate change. At…

Hydrocarbons are observed in the gas or solid phases of solar system objects, including comets, Trans-Neptunian Objects, planets and their moons. In the presence of water ice in these environments, hydrocarbons-bearing clathrate hydrates…

We investigate the effect of pressure, temperature and acidity on the composition of water-rich carbon-bearing fluids at thermodynamic conditions that correspond to the Earth's deep Crust and Upper Mantle. Our first-principles molecular…

Carbonate precipitation in oceans is essential for the carbonate-silicate cycle (inorganic carbon cycle) to maintain temperate climates. By considering the thermodynamics of carbonate chemistry, we demonstrate that the ocean pH decreases by…

We present a theoretical investigation, based on ab initio calculations and the quasi-harmonic approximation, on the stability properties of magnesium (MgCO$_3$) and calcium (CaCO$_3$) carbonates at high temperatures and pressures. The…

Carbonate minerals are important in Earth's system sciences and have been found on Mars and in meteorites and asteroids, highlighting the importance of impacts in planetary processes. While extensively studied under static compression, the…

Hydrocarbons such as methane and ethane are present in many solar system objects, including comets, moons and planets. The interaction of these hydrocarbons with water ice at low temperatures could lead to the formation of inclusion…

The proportions of oxygen, carbon and major rock-forming elements (e.g. Mg, Fe, Si) determine a planet's dominant mineralogy. Variation in a planet's mineralogy subsequently affects planetary mantle dynamics as well as any deep water or…

Changes in atomic coordination numbers at high pressures are fundamental to condensed-matter physics because they initiate the emergence of unexpected structures and phenomena. Silicon is capable of forming eight-, nine-, and…

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…

Superionic hydrogen was previously thought to be an exotic state predicted and confirmed only in pure H2O ice. In Earth's deep interior, H2O exists in the form of O-H groups in ultra-dense hydrous minerals, which have been proved to be…

The distribution, recycling and storage of carbon in the Earth are of fundamental importance to understand the global carbon cycle between the deep Earth and near surface reservoirs. Degassing of CO2 at mid-ocean ridges may give information…

Based on ab initio calculations, we study the effect of intercalating twisted bilayer graphene with carbon. Surprisingly, we find that the intercalant pulls the atoms in the two layers closer together locally when placed in certain regions…

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…

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…

Earth's interior consists primarily of an insulating rocky mantle and a metallic iron-dominant core. Recent work has shown that mountain-scale structures at the core-mantle boundary may be highly enriched in FeO reported to exhibit high…

Clathrates are lightweight, cage-like, fully-sp3 three dimensional (3D) structures that are experimentally-available for several host elements of the IV group. However, carbon clathrates are as yet hypothetical structures. Herein, the…