相关论文: Stable magnesium peroxide at high pressure

The structural, electronic, and dielectric (optical) properties of graphene-like 2D MgO monolayer have been explored through first-principles calculations under bi-axial tensile and compressive mechanical strain within a range of -10% to…

The temperature dependence of the reflectance spectra of magnesium oxide (MgO) and ferropericlase (Mg1-xFexO, for x=0.06 and x=0.27) have been measured over a wide frequency range (~50 to 32000 cm-1) at 295 and 6 K. The complex dielectric…

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…

Mg alloys containing long-period stacking ordered (LPSO) structures exhibit remarkably high tensile yield strength and ductility. They have been found in a variety of ternary Mg systems of the general form Mg-XL-XS, where XL and XS are…

The phase stability of the MgMn2O4 spinel has been studied by means of high-pressure X-ray diffraction for pressures up to 30 GPa. Two samples with different inversion degrees have been considered. Both spinels undergo a phase transition…

Gas giants are believed to form by the accretion of hydrogen-helium gas around an initial protocore of rock and ice. The question of whether the rocky parts of the core dissolve into the fluid H-He layers following formation has significant…

A terrestrial planet is molten during formation and may remain so if subject to intense insolation or tidal forces. Observations continue to favour the detection and characterisation of hot planets, potentially with large outgassed…

Using ab initio calculations, unexpected structural instability was recently found in the ground state of the U$_2$Mo compound. Instead of the unstable $I4/mmm$ structure, in this work the $P6/mmm$ ($\# 191$) space group, usually called…

Helium is the second most abundant element in the universe, and together with silica, they are major components of giant planets. Exploring the reactivity and state of helium and silica under high pressure is of fundamental importance for…

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,…

Atmospheric chemistry models have shown molecular oxygen can build up in CO2-dominated atmospheres on potentially habitable exoplanets without an input of life. Existing models typically assume a surface pressure of 1 bar. Here we present…

We investigate the chemical stability of CO2-dominated atmospheres of desiccated M dwarf terrestrial exoplanets using a 1-dimensional photochemical model. Around Sun-like stars, CO2 photolysis by Far-UV (FUV) radiation is balanced by…

Oxygen is a promising exoplanet biosignature due to the evolutionary advantage conferred by harnessing starlight for photosynthesis, and the apparent low likelihood of maintaining oxygen-rich atmospheres without life. Hypothetical scenarios…

With the motivation of searching for new superconductors in the Mg-B system, we performed ab initio evolutionary searches for all the stable compounds in this binary system in the pressure range of 0-200 GPa. We found previously unknown,…

Molecular nitrogen is the most commonly assumed background gas that supports habitability on rocky planets. Despite its chemical inertness, nitrogen molecule is broken by lightning, hot volcanic vents, and bolide impacts, and can be…

The chemical inertness of the defect-free basal plane confers environmental stability to MoS2 single-layers, but it also limits their chemical versatility and catalytic activity. The stability of the pristine MoS2 basal plane against…

Transition metals (TMs) implanted in oxides with rock-salt crystal structures (for example MgO and BaO) are assumed to substitute cations (Mg in case of MgO) from the lattice sites. We show that not all implanted TMs substitute cations but…

Compounds harboring active valence electrons, such as unconventional stoichiometric compounds of main group elements including sodium, chlorine, and carbon, have conventionally been perceived as unstable under ambient conditions, requiring…

The electrochemical corrosion rate of Magnesium (Mg) and Mg alloys depends on the stability of the formed surface layer. Based on the Mg substrate, the oxide structure comprises a dense MgO/Mg(OH)2 mixture underneath a porous plate-like…

(MgFe)O is a solid solution with ferrous iron undergoing the high to low spin state (HS-LS) crossover under high pressure. The exact state of the material in the region of the crossover is still a mystery, as domains with different spin…