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We have studied dense hydrogen and deuterium experimentally up to 320 GPa and using ab initio molecular dynamic (MD) simulations up to 370 GPa between 250 and 300 K. Raman and optical absorption spectra show significant anharmonic and…
Star formation is thought to be driven by two groups of mechanisms; spontaneous collapse and triggered collapse. Triggered star formation mechanisms further diverge into cloud-cloud collision (CCC), "collect and collapse" (C\&C) and shock…
We present elemental abundance measurements for 9 damped Ly-alpha systems (DLAs) and 1 sub-DLA at 0.1 < z < 1.5 from recent observations with the Multiple Mirror Telescope. Most of these absorbers are found to be metal-poor, while 2 are…
The ability to partially oxidize methane at low temperatures and pressures would have important environmental and economic applications. Although methane oxidation on gold nanoparticles has been observed experimentally, our density…
Due to their ability to reversibly absorb/desorb hydrogen without hysteresis, Pd--Au nanoalloys have been proposed as materials for hydrogen sensing. For sensing, it is important that absorption/desorption isotherms are reproducible and…
We present a microscopic model for Na clusters embedded in raregas matrices. The valence electrons of the Na cluster are described by time-dependent density-functional theory at the level of the local-density approximation (LDA). Particular…
The adsorption/desorption of ethene (C2H4), also commonly known as ethylene, on Fe3O4(001) was studied under ultrahigh vacuum conditions using temperature programmed desorption (TPD), scanning tunneling microscopy, x-ray photoelectron…
We simulate the pump-probe experiments of lasing in molecular nitrogen ions with particular interest on the effects of rotational wave-packet dynamics. Our computations demonstrate that the coherent preparation of rotational wave packets in…
The inheritance of material across the star and planet formation process is traced by deuterium fractionation. We report here the first detection of doubly deuterated methanol towards pre-stellar cores. We study the deuterium fractionation…
The use of a novel three-dimensional graphene structure allows circumventing the limitations of the two-dimensional nature of graphene and its application in hydrogen absorption. Here we investigate hydrogen-bonding on monolayer graphene…
Electron injection from an adsorbed molecule to the substrate (heterogeneous electron transfer) is studied. One reaction coordinate is used to model this process. The surface phonons and/or the electron-hole pairs together with the internal…
Using a combined quantum mechanical/classical method, we study the dynamics of deposition of small Na clusters on Ar(001) surface. We work out basic mechanisms by systematic variation of substrate activity, impact energy, cluster…
The scintillation time response of liquid argon has a key role in the discrimination of electronic backgrounds in dark matter search experiments. However, its extraordinary rejection power can be affected by various detector effects such as…
Proximate molecular quasar absorbers (PH2) are an intriguing population of absorption systems recently uncovered through strong H2 absorption at small velocity separation from the background quasars. We performed a multi-wavelength…
The study of deuteration in pre-stellar cores is important to understand the physical and chemical initial conditions in the process of star formation. In particular, observations toward pre-stellar cores of methanol and deuterated…
When molecules whose collision induced vibrational decay rates are small are probed by molecular absorption spectroscopic (MAS) techniques the absorption signal can, under certain conditions, be reduced and distorted. The reason has been…
The luminescence of fifteen representative Eu$^{2+}$-doped phosphors used for white-LED and scintillation applications is studied through a Constrained Density Functional Theory. Transition energies and Stokes shift are deduced from…
Methane is one of the simplest stable molecules that is both abundant and widely distributed across space. It is thought to have partial origin from interstellar molecular clouds, which are near the beginning of the star formation cycle.…
We attempt to provide physical interpretations of light-induced desorption phenomena that have recently been observed for alkali atoms on glass surfaces of alkali vapor cells used in atomic physics experiments. We find that the observed…
Monolayers of transition metal dichalcogenides display a strong excitonic optical response. Additionally encapsulating the monolayer with hexagonal boron nitride allows to reach the limit of a purely homogeneously broadened exciton system.…