相关论文: A Nexafs Study of Nitric Oxide Layers Adsorbed fro…

Equilibrium atomic configurations and electron energy structure of ethanol adsorbed on the Si (111) surface are studied by the first-principles density functional theory. Geometry optimization is performed by the total energy minimization…

The theoretical modelling of metal-organic interfaces represents a formidable challenge, especially in consideration of the delicate balance of various interaction mechanisms and the large size of involved molecular species. In the present…

We have experimentally determined the lateral registry and geometric structure of free-base porphine (2H-P) and copper-metalated porphine (Cu-P) adsorbed on Cu(111), by means of energy-scanned photoelectron diffraction (PhD), and compared…

Pd(111) has recently been shown to exhibit a propensity to form a sub-nanometer thin surface oxide film already well before a full monolayer coverage of adsorbed O atoms is reached on the surface. Aiming at an atomic-scale understanding of…

Nickel bulk, the low index surfaces and the adsorbate systems Ni(111) (root 3 x root3)-Cl, and Ni(111)(2 x 2)-K are studied with gradient corrected density functional calculations. It is demonstrated that an approach based on Gaussian type…

The structure and dynamics of atomic oxygen adsorbed on Ag(410) and Ag(210) surfaces have been investigated using density functional theory. Our results show that the adsorption configuration in which O adatoms decorate the upper side of…

This paper presents the X-ray absorption near edge structure (XANES) and X-ray photoelectron spectroscopic (XPS) studies of Nd doped phosphate glasses before and after gamma irradiation. The intensity and location of LIII edge white line…

Knowledge of the atomic geometry of a surface is a prerequisite for any detailed understanding of the surface's electronic structure and chemical properties. Previous studies have convincingly demonstrated that density functional theory…

A gas cell for in-situ measurements of Volatile Organic Compounds (VOCs) and their adsorption behavior on different surfaces by means of X-Ray Fluorescence (XRF) and X-ray Absorption Fine-Structure (XAFS) spectroscopy has been developed.…

Atomic and electronic structures of TiO_2(110) surface with possible adsorptional, substitutional and interstitial Au or Pt elemental impurities at full and one-sixth monolayer concentrations were investigated by density functional theory…

Reducing the coefficient of boundary friction on steel surfaces is one of key technologies to improve the efficiency of machines such as automotive engines. It has been shown that the boundary friction on nanostructured steel surfaces in…

Modeling molecular absorption by Earth's atmosphere is important for a wide range of astronomical observations, including broadband NIR photometry and high-resolution NIR spectroscopy. Using a line-by-line radiative transfer approach, we…

We report on the Doppler-free saturation spectroscopy of the nitrous oxide (N$_2$O) overtone transition at 1.28~$\mu$m. This measurement is performed by the noise-immune cavity-enhanced optical heterodyne molecular spectroscopy (NICE-OHMS)…

We report on two XMM-Newton observations of the low-mass X-ray binary X 1254-690. During an XMM-Newton observation of the low-mass X-ray binary in 2001 January a deep X-ray dip was seen while in a second observation one year later no dips…

Results of a careful analysis of the highly ionized absorption systems, observed over the redshift range 2.198--2.2215 in the zem=2.24 HDFS-QSO J2233-606, are presented. Strong OVI and NeVIII absorptions are detected. Most of the lines show…

We have studied atomic structures of a-sexithienyl (6T) films grown on Cu(110) by near-edge x-ray absorption fine structure (NEXAFS). A one-dimensional (1D) ordered structure of 6T with its molecular long axis parallel to the Cu[001]…

We report the results of an x-ray scattering study that reveals oxidation kinetics and formation of a previously unreported crystalline phase of SnO at the liquid-vapour interface of Sn. Our experiments reveal that the pure liquid Sn…

The grand canonical Monte Carlo method is employed to study the adsorption of Xe on a quasicrystalline Al-Ni-Co surface. The calculation uses a semiempirical gas-surface interaction, based on conventional combining rules and the usual…

Puzzling trends in surface stress were reported experimentally for Ni/W(110) as a function of Ni coverage. In order to explain this behavior, we have performed a density-functional-theory study of the surface stress and atomic structure of…

A lattice gas model is used to study the equilibrium properties and desorption kinetics of CO on Ru(0001). With interactions obtained from density functional theory (DFT) the phase diagram and temperature programmed desorption (TPD) spectra…