Related papers: CO adsorption on neutral iridium clusters
We have studied the trends in CO adsorption on close-packed metal surfaces: Co, Ni, Cu from the 3d row, Ru, Rh, Pd, Ag from the 4d row and Ir, Pt, Au from the 5d row using density functional theory. In particular, we were concerned with the…
We modelled \HH\ and CO formation incorporating the fractionation and selective photodissociation affecting CO when \AV\ $\la2$mag. UV absorption measurements typically have N(\cotw)/N(\coth) $\approx 65$ that are reproduced with the…
We have calculated the adsorption energy of carbon monoxide on a monolayer of copper adsorbed on the (111) face of cubic zirconia. We investigate the structural parameters of three phases of bulk zirconia (cubic, tetragonal, and monoclinic)…
While molecular quasar absorption systems provide unique probes of the physical and chemical properties of the gas as well as original constraints on fundamental physics and cosmology, their detection remains challenging. Here we present…
We predict the strong enhancement in the photoabsorption of small Mg clusters in the region of 4-5 eV due to the resonant excitation of the plasmon oscillations of cluster electrons. The photoabsorption spectra for neutral Mg clusters…
In order to constrain the properties of dense and warm gas around active galactic nuclei, we have searched Infrared Space Observatory spectra of local active galactic nuclei for the signature of the 4.7micron fundamental ro-vibrational band…
Absorption by carbon monoxide in the spectrum of quasar SDSS J000015.16+004833.2 is investigated in order to derive a constraint on the temporal variation of the proton-to-electron mass ratio, mu. The spectrum was recorded using VLT/UVES,…
An ab initio density functional study was performed investigating the adsorption of CO$_2$ on the neutral boron B$_{n}$ ($n = 10-13$) clusters, characterized by planar and quasiplanar ground-state atomic structures. For all four clusters,…
Vibrational and electronic absorption spectra calculated at the (time-dependent) density functional theory level for the bismuth carbide clusters Bi$_{n}$C$_{2n}$$^+$ ($3 \le n \le 9$) indicate significant differences in types of bonding…
We are studying the extremely young cluster of M17 to investigate the birth of high-mass stars and the initial mass function. Deep JHKL imaging and K-band spectroscopy from the VLT of 201 stars toward the cluster is presented. The majority…
Protonated water clusters are a common species of atmospheric molecular cluster-ion, produced by cosmic rays throughout the troposphere and stratosphere. Under clear-sky conditions or periods of increased atmospheric ionisation, such as…
We present a systematic analysis of molecular oxygen (O$_2$) adsorption trends on bimetallic PtNi clusters and their monometallic counterparts supported on MgO(100), by means of periodic DFT calculations for sizes between 25 up to 58 atoms.…
Four cluster models for a copper(I)oxide (111) surface have been designed, of which three were studied with respect to their applicability in density functional calculations in the general gradient approximation. Formic acid adsorption on…
Carbon monoxide (CO) absorption in the sub-damped Lyman-$\alpha$ absorber at redshift $z_{abs} \simeq 2.69$, toward the background quasar SDSS J123714.60+064759.5 (J1237+0647), was investigated for the first time in order to search for a…
The abundances of ices in planetary environments have historically been obtained through measurements of near-infrared absorption features (lambda = 1.0-2.5 microns), and near-IR transmission measurements of materials present in the…
We report on results of a theoretical study of the adsorption process of a single carbon oxide molecule on a Platinum (111) surface. A four-component relativistic density functional method was applied to account for a proper description of…
We have revisited the search for carbon monoxide absorption features in transmission during the transit of the extrasolar planet HD 209458b. We acquired 1077 high resolution spectra at 2 microns using NIRSPEC on Keck II during three…
We performed a systematic analysis of the 4.67 $\mu$m CO ro-vibrational absorption band toward nearby active galactic nuclei (AGNs) and analyzed the absorption profiles of ten nearby galaxies collected from the AKARI and Spitzer…
We present the results of a survey for HI 21-cm and OH 18-cm absorption in seven strong CO emitters at z > 3. Despite reaching limits comparable to those required to detect 21-cm absorption at lower redshifts, we do not detect either…
Extensive density-functional calculations are performed for chemisorption of atoms in the three first periods (H, B, C, N, O, F, Al, Si, P, S, and Cl) on the polar TiC(111) surface. Calculations are also performed for O on TiC(001), for…