相关论文: Organic compounds in metallic hydrogen

We report the presence of a systematic excess in the molecular hydrogen fraction ($f_{\mathrm{H2}} = 2 \, n_{\mathrm{H2}}/n_{\mathrm{H}}$) in studies that use a reduced chemistry network to calculate $f_{\mathrm{H2}}$ of gas with a non-zero…

The most usual tracer of molecular gas is line emission from CO. However, the reliability of that tracer has long been questioned in environments different from the Milky Way. We study the relationship between H2 and CO abundances using a…

We employed a machine-learning assisted approach to search for superconducting hydrides under ambient pressure within an extensive dataset comprising over 150 000 compounds. Our investigation yielded around 50 systems with transition…

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.…

We illustrate the description of correlated subsystems by studying the simple two-body Hydrogen atom. We study the entanglement of the electron and proton coordinates in the exact analytical solution. This entanglement, which we quantify in…

The covalent-like characteristics of hydrogen bonds offer a new perspective on intermolecular interactions. Here, using density functional theory and post-Hartree-Fock methods, we reveal that there are two bonding molecular orbitals (MOs)…

The mixing behavior of hydrogen with heavier elements plays a key role in modeling the interiors of giant planets such as Jupiter and Saturn. Using density functional theory combined with molecular dynamics, we investigate hydrogen-neon…

We review studies of the electromagnetic response of various classes of correlated electron materials including transition metal oxides, organic and molecular conductors, intermetallic compounds with $d$- and $f$-electrons as well as…

Close-in transiting sub-Neptunes are abundant in our galaxy \cite{fulton2017california}. Planetary interior models based on their observed radius-mass relationship suggest that sub-Neptunes contain a discernible amount of either hydrogen…

Usually the ions in solid are in the positive oxidation states or in the negative oxidation state depending upon the chemical environment. It is highly unusual for an ion having both positive as well as negative oxidation state in a…

We present a theoretical and numerical scheme that enables quantifying hydrogen ingress in metals for arbitrary environments and defect geometries. This is achieved by explicitly resolving the electrochemical behaviour of the electrolyte,…

We present for the first time a detailed study of the properties of molecular gas in metal-rich environments such as early-type galaxies (ETGs). We have explored Photon-Dominated Region (PDR) chemistry for a wide range of physical…

The outer Galaxy is an environment with metallicity lower than the Solar one. Because of this, the formation and survival of molecules in star-forming regions located in the inner and outer Galaxy is expected to be different. To gain…

The chemistry (composition and bonding information) of metallic glasses (MGs) is at least as important as structural topology for understanding their properties and production/processing peculiarities. This article reports a machine…

We demonstrate that the formation of negative hydrogen ions (H-) occurs in a wide class of atomic and molecular collisions. In our experiments, H- emission from hydroxyl cations and acetone molecules was observed in keV-energy collisions.…

This paper presents an analysis of the concentration of the hydrogen molecule inside the ionized region of planetary nebulae. The equations corresponding to the ionization and chemical equilibria of H, H+, H-, H2, H2+, and H3+ are coupled…

Understanding the nature of solvated electrons is important in studying a range of chemical and biological phenomena. This study investigates the structural and dynamical behavior of an excess electron in water, examining different…

Hydrogen is the most abundant element in the universe. It is also the lightest and as such the most quantum of the elements, in the sense that quantum tunnelling, quantum delocalisation, and zero-point motion can be important. For practical…

Hydrogen can be stored in containers or in materials. In materials it can exist in molecular or atomic forms. The atomic form can further exist as multiple phases. Molecular hydrogen can be adsorbed on the surface or can be present inside…

Elements heavier than hydrogen and helium, collectively termed metals, were created inside stars and dispersed through space at the final stages of stellar evolution. The relative amounts of different isotopes (variants of the same element…