Related papers: Deuteration of ammonia with D atoms on oxidized pa…
The chemical evolution in high-mass star-forming regions is still poorly constrained. Studying the evolution of deuterated molecules allows to differentiate between subsequent stages of high-mass star formation regions due to the strong…
In this study, we employ a multi-scale computational modeling approach, combining density functional theory (DFT) and self-consistent charge density functional tight binding (SCC-DFTB), to investigate hydrogen (H2) production and…
Deuterium enrichment of interstellar methanol is reproduced experimentally for the first time via grain-surface H-D substitution in solid methanol at an atomic D/H ratio of 0.1. Although previous gas-grain models successfully reproduce the…
Direct D-H exchange in radicals is investigated in a quasi-uniform flow employing chirped pulse mm-wave spectroscopy. Inspired by the H-atom catalyzed isomerization of C3H2 reported in our previous study, D atom reactions with the propargyl…
Deuterium fractionation, as studied through mono-deuterated methanol, is frequently used as a diagnostic tool to trace the physical conditions and chemical evolution of interstellar sources. This study investigates methanol deuteration in…
Aims. The mobility of H atoms on the surface of interstellar dust grains at low temperature is still a matter of debate. In dense clouds, the hydrogenation of adsorbed species (i.e., CO), as well as the subsequent deuteration of the…
Motivated by recent observations of deuterated molecules in the interstellar medium, we examine the production of HD and D$_2$ molecules on dust grain surfaces. A mechanism for the enhanced production of these deuterated molecules is…
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…
The thermal desorption of ammonia (NH$_3$) from single crystal forsterite (010) has been investigated using temperature-programmed desorption. The effect of defects on the desorption process has been probed by the use of a rough cut…
Aims. We aim to improve a previous model for the prediction of column densities and deuterium fractions of non- and singly deuterated methanol. Thereby, we try to identify crucial chemical and physical parameters, for which the study of…
We present new radio-frequency interferometric maps of emission from the 14NH3, 15NH3, and 14NH2D isotopologues of ammonia, and the 12CH3OH and 13CH3OH isotopologues of methanol toward Sgr B2(N). With a resolution of ~3'' (0.1 pc), we are…
Aims: We aim to investigate the abundances of light deuterium-bearing species such as HD, H2D+ and D2H+ in a gas-grain chemical model including an extensive description of deuterium and spin state chemistry, in physical conditions…
Deposition of water on aerosol particles contributes to ice cloud formation in the atmosphere with implications for the water cycle and climate on Earth. The heterogeneous ice nucleation process is influenced by physico-chemical properties…
Understanding the chemical processes during starless core and prestellar core evolution is an important step in understanding the initial stages of star and disk formation. This project is a study of deuterated ammonia, o-NH$_2$D, in the…
An ever growing number of observational and theoretical evidence suggests that the deuterated fraction (column density ratio between a species containing D and its hydrogenated counterpart, Dfrac) is an evolutionary indicator both in the…
The deuteration of molecules forming in the ices such as methanol (CH$_3$OH) is sensitive to the physical conditions during their formation in dense cold clouds and can be probed through observations of deuterated methanol in hot cores.…
We present the results of our studies of deuterated molecules (DCN, DNC, DCO$^+$, N$_2$D$^+$ and NH$_2$D) in regions of high-mass star formation, which include a survey of such regions with the 20-m Onsala radio telescope and mapping of…
We show analytically that large abundances of NH2D and NHD2 can be produced by gas phase chemistry in the interiors of cold dense clouds. The calculated fractionation ratios are in good agreement with the values that have been previously…
Surface contamination not only influences but in some cases even dominates the measured properties of two-dimensional materials. Although different cleaning methods are often used for contamination removal, commonly used spectroscopic…
We investigate the use of first principles thermodynamics based on periodic density functional theory (DFT) to examine the gas-surface chemistry of an oxidized ruthenium surface reacting with hydrogen gas. This reaction system features in…