Related papers: Influence of surface coverage on the chemical deso…
It is widely believed that water and complex organic molecules (COMs) first form in the ice mantle of dust grains and are subsequently returned into the gas due to grain heating by intense radiation of protostars. Previous research on the…
The catalytic role of dust grain surfaces in the thermal reaction CO2 + 2NH3 $\rightarrow$ NH4+NH2COO was recently demonstrated by our group. The rate coefficients for the reaction at 80 K on the surface of nanometre-sized carbon and…
At the high densities and low temperatures found in star forming regions, all molecules other than H2 should stick on dust grains on timescales shorter than the cloud lifetimes. Yet these clouds are detected in the millimeter lines of…
Atom controlled sub-nanometer MoS$_2$ pores have been recently fabricated. Oxidative environments are of particular interest for MoS$_2$ applications in electronics, sensing and energy storage. In this work we carried out first-principles…
We use a simple generic model to study the desorption of atoms from a solid surface in contact with a liquid, by using a combination of Monte Carlo and molecular dynamics simulations. The behavior of the system depends on two parameters:…
The deposition of thin SiO$_x$C$_y$H$_z$ or SiO$_x$H$_y$ films by means of atmospheric pressure microplasma jets with admixture of Hexamethyldisiloxane (HMDSO) and oxygen and the role of surface reactions in film growth are investigated.…
Adsorption and dissociation of hydrocarbons on metallic surfaces represent crucial steps to carburization of metal. Here, we use density functional theory total energy calculations with the climbing-image nudged elastic band method to…
Context : Despite the low cosmic abundance of deuterium (D/H ~ 1e-5), large degrees of deuterium fractionation in molecules are observed in star forming regions with enhancements that can reach 13 orders of magnitude, which current models…
Adsorption is one important way applied to water decontamination, where carbon is commonly used as highly effective absorbent. Carbon of different morphologies and structures normally demonstrate distinct capabilities to adsorption-typed…
Millimeter and centimeter observations are discovering an increasing number of interstellar complex organic molecules (iCOMs) in a large variety of star forming sites, from the earliest stages of star formation to protoplanetary disks and…
A new experimental set-up INterStellar Ice-Dust Experiment (INSIDE), was designed for studying cosmic grain analogues represented by ice-coated carbon- and silicate-based dust grains. In the new instrument, we can simulate physical and…
Surface adsorption, which is often coupled with surface dissolution, is generally unpredictable on alloys due to the complicated alloying and dissolution effects. Herein, we introduce the electronic gradient and cohesive properties of…
Chemisorption of CO on the stepped Cu(211) surface is studied within ab-initio density functional theory (DFT) and scanning tunneling microscopy (STM) imaging as well as manipulation experiments. Theoretically we focus on the experimentally…
Molecular dynamics calculations have been performed to study the ultraviolet photodissociation of D2O in an amorphous D2O ice surface at 10-90 K, in order to investigate the influence of isotope effects on the photodesorption processes. As…
The interactions of atomic and molecular hydrogen with bare interstellar dust grain surfaces are important for understanding H2 formation at relatively high temperatures (>20 K). We investigate the diffusion of physisorbed H atoms and the…
The oxygen dissociation and the oxidized structure on the pristine C3N monolayer in exposure to air are the inevitably critical issues for the C3N engineering and surface functionalization yet have not been revealed in detail. Using the…
Context. The chemistry of the diffuse interstellar medium rests upon three pillars: exothermic ion-neutral reactions (" cold chemistry "), endothermic neutral-neutral reactions with significant activation barriers (" warm chemistry "), and…
The concentration of nanosheet suspensions is an important technological parameter which is commonly measured by optical spectroscopy using the absorption coefficient to transform absorbance into concentration. However for all 2D materials,…
Context: Dark cloud chemical models usually predict large amounts of O2, often above observational limits. Aims: We investigate the reason for this discrepancy from a theoretical point of view, inspired by the studies of Jenkins and Whittet…
The desorption of molecular species from ice mantles back into the gas phase in molecular clouds results from a variety of very poorly understood processes. We have investigated three mechanisms; desorption resulting from H_2 formation on…