相关论文: Imaging Hydrogen Bond in Real Space
Relaxed atomic geometries and chemisorption energies have been calculated for the dissociative adsorption of molecular hydrogen on vicinal Si(001) surfaces. We employ density-functional theory, together with a pseudopotential for Si, and…
When hydrogen atoms occupy interstitial sites in metal lattices, they form metal hydrides (MHx), whose structural and electronic properties can differ significantly from the host metals. Owing to the small size of hydrogen atom and its…
In order to probe electron wave functions involved in the bonding of NH$_4$F, we have performed Compton scattering experiments in an oriented single crystal and in a powder. Ab initio calculations of the Compton profiles for NH$_4$F and…
The work is devoted to the investigation of physical nature of H-bond. The H-bond potential $\Phi_{H} (r,\Omega)$ is studied as an irreducible part of the interaction energy of water molecules. It is defined as a difference between…
Absorption lines from water, methane and carbon monoxide are detected in the atmosphere of exoplanet HR8799b. A medium-resolution spectrum presented here shows well-resolved and easily identified spectral features from all three molecules…
In most of the realistic ab initio and model calculations which have appeared on the emission of light from Si nanocrystals, the role of surface oxygen has been usually ignored, underestimated or completely ruled out. We investigate…
It is widely agreed that studying the 21 cm emission line from neutral hydrogen may be our best hope for understanding the creation of the first structures during the dark ages and the Epoch of Reionization (EoR). This hyperfine transition…
The interaction of atomic hydrogen with a single layer of hexagonal boron nitride on rhodium leads to a removal of the h-BN surface corrugation. The process is reversible as the hydrogen may be expelled by annealing to about 500 K whereupon…
We consider tunneling of two interacting atoms with an even spatial symmetry. The atoms are prepared in two lowest excited states with respect to relative and center-of-mass motions. We observe monotonic and non-monotonic dependence of the…
It is generally assumed that solid hydrogen will transform into a metallic alkali-like crystal at sufficiently high pressure. However, some theoretical models have also suggested that compressed hydrogen may form an unusual two-component…
The object of this study is the kinetic process of solid-liquid first-order phase transition - melting of carbon dioxide CS-I hydrate with various cavity occupation ratios. The work was done within a framework of study on the local…
Hong-Ou-Mandel (HOM) effect was long believed to be a two-photon interference phenomenon. It describes the fact that two indistinguishable photons mixed at a beam splitter will bunch together to one of the two output modes. Considering the…
The electronic stress tensor of the hydrogen molecule ion H_2^+ is investigated for the ground state (sigma_g 1s) and the first excited state (sigma_u^* 1s) using their exact wave functions. A map of its largest eigenvalue and corresponding…
We show that helium film-mediated hydrogen-hydrogen interactions account for a two orders of magnitude discrepancy between previous theory and recent experiments on cold collision shifts in spin-polarized hydrogen adsorbed on a helium film.…
We prove that scanning tunneling microscopy (STM) images of sub-surface Mn atoms in GaAs are formed by hybridization of the impurity state with intrinsic surface states. They cannot be interpreted in terms of bulk-impurity wavefunction…
We study a highly supercooled two-dimensional fluid mixture via molecular dynamics simulation. We follow bond breakage events among particle pairs, which occur on the scale of the $\alpha$ relaxation time $\tau_{\alpha}$. Large scale…
In the search for new renewable energy to replace fossil fuels, Hydrogen is one of the most promising candidates for clean energy production. But cheap Hydrogen separation and storage is still a big challenge. Photoelectrochemical devices…
Optical binding is a form of light-mediated forces between elements of matter which emerge in response to the collective scattering of light. Such phenomenon has been studied mainly in the context of equilibrium stability of dielectric…
The advent of precise measurements of the cosmic microwave background (CMB) anisotropies has motivated correspondingly precise calculations of the cosmic recombination history. Cosmic recombination proceeds far out of equilibrium because of…
Spectroscopy of hydrogen can be used for a search into physics beyond the Standard Model. Differences between the absorption spectra of H$_2$ as observed at high redshift and those measured in the laboratory can be interpreted in terms of…