Related papers: Adsorption of CO on the Ca3Ru2O7(001) surface
In this work, we investigate $CO_{2}$ activation on ZnS using Near Ambient-Pressure X-ray photoelectron spectroscopy measurements (NAP-XPS) and density functional theory calculations (DFT). Our NAP-XPS experiments reveal that $CO_{2}$…
Density functional theory based calculations of the energetics of adsorption and diffusion of CO on Pt islets and on the Ru(0001) substrate show that CO has the lowest adsorption energy at the center of the islet, and its bonding increases…
In this work, using theoretical calculations within the framework of the density functional theory, taking into account the dispersive VDW interaction, the processes of adsorption and interaction of a water molecule with a TiO2 surface in…
The c(6x2) is a reconstruction of the SrTiO3(001) surface that is formed between 1050-1100oC in oxidizing annealing conditions. This work proposes a model for the atomic structure for the c(6x2) obtained through a combination of results…
We present results from 12 km/s resolution echelle spectroscopy of the bright $z=4.694$ QSO BR1202-0725. A preliminary analysis shows that high metallicity narrow line absorption clouds are present up to the redshift of the quasar. A damped…
First-principles calculations using density functional theory based on norm-conserving pseudopotentials have been performed to investigate the Cs adsorption on the Si(001) surface for 0.5 and 1 ML coverages. We found that the saturation…
The adsorption of methanol (CH3OH) at the Fe3O4(001)-c(2x2) surface was studied using X-ray photoelectron spectroscopy (XPS), scanning tunneling microscopy (STM), and temperature-programmed desorption (TPD). CH3OH adsorbs exclusively at…
Solid O2 has been proposed as a possible reservoir for oxygen in dense clouds through freeze-out processes. The aim of this work is to characterize quantitatively the physical processes that are involved in the desorption kinetics of CO-O2…
The adsorption equilibrium constants of monovalent and divalent cations to material surfaces in aqueous media are central to many technological, natural, and geochemical processes. Cation adsorption/desorption is often proposed to occur in…
We have detected the J=4-3 rotational transition of 12CO in absorption at z=0.89 towards the quasar PKS1830-211, but not the 12CO 5-4 or the 3P1-3P0 fine structure line of neutral carbon. The intervening molecular medium thus has a total…
The structures and energetics of organic molecules adsorbed onto clean and H-passivated Si(001)-(2$\times$1) surfaces have been calculated using density functional theory. For benzene adsorbed on the clean Si surface the tight-bridge…
The success of density functional theory for the description of the adsorption of atoms on surfaces is well established, and based on recent calculations using gradient corrections, it has been shown that it also describes well the…
We have revisited the search for carbon monoxide absorption features in transmission during the transit of the extrasolar planet HD 209458b. We acquired 1077 high resolution spectra at 2 microns using NIRSPEC on Keck II during three…
We present the results of the modelling of CO adsorption and catalytic CO oxidation on inhomogeneous Pt(100) surfaces which contain structurally different areas. These areas are formed during the CO-induced transition from a reconstructed…
To help provide insight into the remarkable catalytic behavior of the oxygen/silver system for heterogeneous oxidation reactions, purely sub-surface oxygen, and structures involving both on-surface and sub-surface oxygen, as well as…
In a low-temperature study with a scanning tunneling microscope (STM), the irreducible lateral motion of a CO molecule adsorbed on a Si(001) surface showed a hyperlinear dependence on the tunneling current. This dependence implies that the…
Adsorption of CO$_2$ on a semiconductor surface is a prerequisite for its photocatalytic reduction. Owing to superior photocorrosion resistance, nontoxicity and suitable band edge positions, TiO$_2$ is considered to be the most efficient…
The direct study of molecular gas in inner protoplanetary disks is complicated by uncertainties in the spatial distribution of the gas, the time-variability of the source, and the comparison of observations across a wide range of…
Using the Effelsberg 100-m telescope, absorption in the (J,K) = (1,1), (2,2) and (3,3) inversion lines of ammonia (NH_3) was detected at a redshift of z = 0.6847 toward the gravitational lens system B0218+357. The lambda ~ 2cm absorption…
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…