Related papers: Highly site-specific H2 adsorption on vicinal Si(0…
Using density-functional theory and a tight-binding approach we investigate the physical origin of distinct favourable geometries of adsorbed hydrogen atoms in various graphyne structures, and the relation with electronic properties. In…
The detection, removal and reduction of hydrogen peroxide is of significant importance for its increasing application in the areas of environment, food, electrochemistry and clinical laboratory. Herein the dissociative adsorption behavior…
We report on experimental evidence for the formation of a two dimensional Si/Au(110) surface alloy. In this study, we have used a combination of scanning tunneling microscopy, low energy electron diffraction, Auger electron spectroscopy and…
It is commonly believed that it is unfavourable for adsorbed H atoms on carbonaceous surfaces to form H$_2$ without the help of incident H atoms. Using ring-polymer instanton theory to describe multidimensional tunnelling effects, combined…
The kinetics of hydrogen absorption by magnesium bulk is affected by two main activated processes: the dissociation of the H$_2$ molecule and the diffusion of atomic H into the bulk. In order to have fast absorption kinetics both activated…
Future laser-interferometric gravitational wave detectors (GWDs) will potentially employ test mass mirrors from crystalline silicon and a laser wavelength of $1550\,\rm{nm}$, which corresponds to a photon energy below the silicon bandgap.…
Encapsulation layers are explored for passivating the surfaces of silicon to reduce optical absorption in the 1500-nm wavelength band. Surface-sensitive test structures consisting of microdisk resonators are fabricated for this purpose.…
We have studied a spectrum of Q0122+0338 (z = 1.202) obtained by the FOS on board HST. We present the analysis of three associated absorption systems at z = 1.207, 1.199 and 1.166. The most complex of these at z = 1.207 shows strong…
We calculated the phase diagram of the second layer of $para$-H$_2$ adsorbed on graphite using quantum Monte Carlo methods. The second layer shows an incommensurate triangular crystal structure. By using a symmetric wave function, that…
Electron stimulated desorption of cyclopentene from the Si(100)-2x1 surface is studied experimentally with cryogenic UHV STM and theoretically with transport, electronic structure, and dynamical calculations. Unexpectedly for a saturated…
In previous work on adsorbate-induced surface core level shifts (SCLSs), the effects caused by O atom adsorption on Rh(111) and Ru(0001) were found to be additive: the measured shifts for first layer Ru atoms depended linearly on the number…
The dynamics of processes of antimony desorption was investigated on the singular and vicinal GaSb(001) surface by RHEED method. The role of the terraces edges was determined during antimony evaporation in Langmuir desorption mode. It is…
The phase diagram of a para-H2 monolayer absorbed on a experimentally syntetized amorphous carbon sheet was calculated using a diffusion Monte Carlo technique. We found that the ground state of that system changed drastically from a…
We demonstrate that variations in molecular chemisorption energy on different metals, different surface terminations, and different strain conditions can be accounted for by orbital-specific changes in the substrate electronic structure.…
We investigate the static and dynamic behaviors of a Br adlayer electrochemically deposited onto single-crystal Ag(100) using an off-lattice model of the adlayer. Unlike previous studies using a lattice-gas model, the off-lattice model…
We report total-energy calculations based on the density-functional theory that clarify microscopic mechanisms of initial stage of graphene formation on the SiC(0001) surface. We explore favorable reactions for desorption of either Si or C…
The study of the formation of molecular hydrogen on low temperature surfaces is of interest both because it allows to explore elementary steps in the heterogeneous catalysis of a simple molecule and because of the applications in…
We present the detection and analysis of H2 absorption at z = 4.24 towards the bright quasar J0007-5705, observed with the Very Large Telescope as part of the ESPRESSO QUasar Absorption Line Survey (EQUALS). The high resolving power,…
The environment around protoplanetary disks (PPDs) regulates processes which drive the chemical and structural evolution of circumstellar material. We perform a detailed empirical survey of warm molecular hydrogen (H$_2$) absorption…
We have investigated Rb adsorption on the Si(100) surface for 0.5 and 1 monolayer coverages using the total energy method with norm-conserving pseudopotentials. For 2$\times$1 reconstruction at 1 ML coverage symmetrized dimers are found to…