Mechanisms of hydrogen atom interactions with MoSmonolayer.

The mechanisms of H atoms interactions with single-layer MoS, a two-dimensional transition metal dichalcogenide, are studied by static and dynamic DFT (density functional theory) modeling. Adsorption energies for H atoms on MoS, barriers for H atoms migration and recombination on hydrogenated MoSsurface and effects of H atoms adsorptions on MoSelectronic properties and sulfur vacancy production were obtained by the static DFT calculations. The dynamic DFT calculations give insight into the dynamics of reactive interactions of incident H atoms with hydrogenated MoSat H atoms energies in the range of 0.

Large enhancement of the vibration-rotation coupling of the nu1 and nu3 states of silane in helium droplets.

Silane molecules have been embedded in helium droplets and studied via infrared laser depletion spectroscopy in the range of 2190 cm(-1). We found that the R1 and Q2 lines of the nu(3) band have satellites shifted by about 2.3 cm(-1) towards low frequency and having similar intensity to the main lines.