Search results for "X-ray photoelectron spectroscopy"
showing 10 items of 416 documents
Ab initio angle- and energy-resolved photoelectron spectroscopy with time-dependent density-functional theory
2012
We present a time-dependent density-functional method able to describe the photoelectron spectrum of atoms and molecules when excited by laser pulses. This computationally feasible scheme is based on a geometrical partitioning that efficiently gives access to photoelectron spectroscopy in time-dependent density-functional calculations. By using a geometrical approach, we provide a simple description of momentum-resolved photoemission including multiphoton effects. The approach is validated by comparison with results in the literature and exact calculations. Furthermore, we present numerical photoelectron angular distributions for randomly oriented nitrogen molecules in a short near-infrared…
Metal-support and preparation influence on the structural and electronic properties of gold catalysts
2006
Abstract Nanostructured gold catalysts supported on CeO2 and SiO2 were prepared by the deposition–precipitation (DP) and the solvated metal atom dispersion (SMAD) techniques. The structural and electronic properties of the catalysts were investigated by X-ray diffraction (XRD), X-ray absorption spectroscopy (XAS) and X-ray photoelectron spectroscopy (XPS). Gold was found as small metal nanoparticles (cluster size ∼2 nm) in the SMAD-prepared samples and in ionic state in the DP catalysts. The catalytic activity of the samples was tested in the reaction of low temperature CO oxidation. Gold nanosized particles in a pure metallic state exhibited a worse catalytic performance, both on ceria and…
Surface spectroscopic study of the corrosion of ultrathin57Fe-evaporated and Langmuir-Blodgett films in humid SO2 environments
2000
Integral conversion electron Mossbauer spectroscopy (ICEMS), x-ray photoelectron spectroscopy (XPS), Auger electron spectroscopy (AES) and scanning electron microscopy (SEM) have been used to carry out a comparative study of the corrosion resistance against humid SO2-aggressive environments of ultrathin 57Fe films. These films, having a thickness ≤ 2.5 nm, have been prepared by evaporation of 57Fe under vacuum and by 57Fe coating by a Langmuir–Blodgett (LB) technique on SiO2/Si wafers. The results have shown that the corrosion resistance of the evaporated films is similar to that of massive Fe. However, the LB films show a remarkably higher corrosion resistance. Thus, although the Fe films …
Iron deposition on TiO2(110): effect of the surface stoichiometry and roughness
1999
Abstract Characterizations of ultra-thin iron films deposited on TiO 2 (110) surfaces with different stoichiometries, roughnesses and crystallinities have been carried out by X-ray photoelectron spectroscopy (XPS) and Auger electron spectroscopy (AES). For a high initial roughness of the substrate, a 2D growth mode is observed up to three monolayers. But, if the initial roughness is low, clusters grow on the TiO 2 surface. Whatever the initial surface stoichiometry, electronic exchanges occur between titanium and iron leading to a reduction of titanium and an oxidation of iron. This interaction between iron and titanium dioxide surface takes place only at the interface between the metal and…
Structural properties of the quaternary Heusler compound Co2 Cr1−x Fex Al
2006
Abstract The structural and chemical properties of the quaternary Heusler compound Co2 Cr1−x Fex Al were investigated comparing powder and bulk samples. The long range order was determined by means of X-ray diffraction, while the site specific (short range) order was proved by the extended X-ray absorption fine structure method (EXAFS). The chemical composition was analysed by means of X-ray photo emission spectroscopy (XPS) combined with Auger electron spectroscopy (AES) depth profiling. The results from these methods are compared to get a detailed idea about the differences between surface and bulk properties and appearance of disorder in such alloys.
Angular-resolved electron spectroscopy from (110) surfaces of ternary Ce-based intermetallics: CePd2Si2 and CeNi2Ge2
1997
Investigations of electronic properties were carried out for the ternary Ce-based intermetallic systems CeT2X2 (T = Ni, Pd; X = Ge, Si). To produce well-ordered and atomically clean surfaces, preparation is carried out in UHV. The polycrystalline substance was evaporated on a W(110) substrate with subsequent annealing. The single-crystalline layers obtained are characterised by MEED (thickness), AES (surface stoichiometry), LEED and SEM (surface structure). For electron-spectroscopic investigations, ARUPS (angle-resolved photoemission spectroscopy) was used. In the photoemission spectra, dispersion effects could be detected by variation of the detection angle.
The growth of oxide platelets on nickel in pure oxygen. II. Surface analyses and growth mechanism
1993
The structural properties of NiO platelets emerging from a primary oxide layer by oxidation of pretreated nickels in pure oxygen between 650 and 800° C have been investigated in relation with the initial metallic layers and the primary oxide. Surface composition and segregation of impurities were also studied by X-ray photoelectron spectroscopy and Auger electron spectroscopy. Textural properties and structural orientation of both the primary oxide layer and the platelets were analyzed by X-ray diffraction and transmission electron microscopy. Platelets grew along {111} planes, leading to elliptical or semicircular bicrystals. The driving force for the present type of growth originates from…
Effect of the surface stoichiometry on the interaction of Mo with TiO2 (110)
2000
Abstract Molydenum has been deposited at room temperature on (110) TiO2 surfaces with different stoichiometries, roughnesses and crystallinities. Whatever the substrate preparation is, in-situ Auger electron spectroscopy (AES) and X-ray photoelectron spectroscopy (XPS) studies as well as ex-situ atomic force microscopy (AFM) and reflexion high-energy electron diffraction (RHEED) studies reveal a Stranski–Krastanov growth mode: the completion of three monolayers followed by islands growth is observed in every case. The three monolayers are always composed of amorphous molybdenum oxide with an oxidation state of molybdenum less than IV. The oxidation of the molybdenum layers generates Ti3+ an…
Passive properties of lean duplex stainless steels after long-term ageing in air studied using EBSD, AES, XPS and local electrochemical impedance spe…
2013
Abstract Passivity of duplex stainless steel was studied after long-term ageing in air using local electrochemical impedance spectroscopy, AES, XPS and EBSD. After mechanical polishing, the passive film was homogeneous and had a capacitive behaviour described by the CPE. After long-term ageing, a small thickening was detected and O2−/OH− was significantly higher in the austenite than in the ferrite. Austenite behaved as a blocking electrode whereas two capacitive loops were observed in the ferrite (low value of O2−/OH). The loop at high frequencies was related with the oxygen reduction and the loop at low frequencies was connected with the passive film.
Synthesis and Characterization of a Stable Copper(I) Complex for Radiopharmaceutical Applications
2014
A highly stable copper(I) complex was obtained starting from a copper(II) salt. This compound was characterized by a combination of several analytical techniques (UV/Vis spectroscopy, energy-dispersive X-ray spectroscopy, electrochemistry, and X-ray photoelectron spectroscopy) and was shown to present an N4Cu structure. These results were confirmed by a density functional calculations study of the binding energy and the electronic structure of model ligand and copper complexes. Preliminary tests of complexation showed a high ability of the corresponding ligand to chelate 64Cu in very diluted medium, which is of interest for developing new positron emission tomography imaging agents. The sta…