1,720,976 research outputs found
Valence electronic properties of porphyrin derivatives
No full textWe present a combined experimental and theoretical investigation of the valence electronic structure of porphyrin-derived molecules. The valence photoemission spectra of the free-base tetraphenylporphyrin and of the octaethylporphyrin molecule were measured using synchrotron radiation and compared with theoretical spectra calculated using the GW method and the density-functional method within the generalized gradient approximation. Only the GW results could reproduce the experimental data. We found that the contribution to the orbital energies due to electronic correlations has the same linear behavior in both molecules, with larger deviations in the vicinity of the HOMO level. This shows the importance of adequate treatment of electronic correlations in these organic systems
Vanadium on TiO2(110): adsorption site and sub-surface migration
No full textThe initial stages of the growth of vanadium overlayers on TiO2(1 1 0) at room temperature have been investigated with scanning tunneling microscopy. At very low coverages both individual vanadium adatoms and small vanadium clusters have been imaged with good resolution. The V adatoms adsorb preferentially on the so-called “upper threefold hollow” sites, as revealed by atomically resolved STM images: they are thus bonded to two bridging oxygen atoms and one threefold coordinated basal oxygen atom. At higher coverages the vanadium adlayers grow in form of poorly ordered three-dimensional islands. The number of V clusters at low coverages decreases by gentle annealing or with time even at room temperature. This kinetic effect has been interpreted in terms of sub-surface migration of V adatom
The growth of ultrathin films of vanadium oxide on TiO2(110)
Full text linkThe growth morphology of ultrathin (up to 5 ML) vanadium oxide films on TiO2(1 1 0) has been investigated by scanning tunneling microscopy (STM) and low-energy electron diffraction (LEED). It has been found that the reactive evaporation technique produces more uniform and better-ordered vanadia layers than the post-oxidation method. At low coverages V-oxide clusters adsorb on top of the fivefold-coordinated Ti rows of the substrate. With increasing coverage the clusters agglomerate and form strands, which are oriented along the [0 0 1] titania direction. For oxide coverage >2 ML the strands cover uniformly the titania substrate, forming a texture along the [0 0 1] direction, and give rise to a (1 · 1) LEED pattern. The latter is consistent with the growth of an epitaxial rutile-type VO2 phase
Electronic excitations in synthetic eumelanin aggregates probed by soft X-ray spectroscopies
No full textElectronic excitations of condensed phase eumelanin aggregates are investigated with soft X-ray spectroscopies. Resonant photoemission data indicate that mechanisms of charge delocalization may occur when electrons are excited about 3 eV above the first unoccupied electronic level. An average, lower limit value of 1.6 fs was estimated for the lifetime of the excited C 1s-pi* states
Substrate Influence for the Zn-tetraphenyl-porphyrin Adsorption Geometry and the Interface-Induced Electron Transfer
No full textIn molecular devices, the importance of interfaces cannot be neglected as they determine charge injection and charge flow and, therefore, the device performance. Herein we report on the interaction of one single layer of Zn tetraphenyl porphyrin with Ag(110) and Si(111) Photoemission are used to study the bonding nature the adsorption geometry as well as the dynamics of electron transfer between the molecules and the metal or semiconductor surfaces. Molecule-substrate charge transfter is driven by the overlap with the molecular pi orbitals in particular, the coupling of the phenyl legs with substrate and the relative excited charge injection are dramatically different for the two surfaces considered
Valence electronic structure of the indene molecule: Experiment vs. GW calculations
No full textWe investigate the valence electronic properties in the gas phase of the indene molecule, which is one of the simplest polycyclic aromatic hydrocarbons, with photoemission spectroscopy using synchrotron light and through first-principles calculations using a many-body perturbation theory GW approach. We found an excellent agreement between theory and experiment. This allows us to assign to the peaks appearing in the
photoemission spectrum the calculated molecular orbital
Going Beyond Counting First Authors in Author Co-citation Analysis
Full text linkThe present study examines one of the fundamental aspects of author co-citation analysis (ACA) - the way co-citation
counts are defined. Co-citation counting provides the data on which all subsequent statistical analyses and mappings
are based, and we compare ACA results based on two different types of co-citation counting - the traditional type that
only counts the first one among a cited work's authors on the one hand and a non-traditional type that takes into
account the first 5 authors of a cited work on the other hand. Results indicate that the picture produced through this non-traditional author co-citation counting contains more coherent author groups and is therefore considerably clearer. However, this picture represents fewer specialties in the research field being studied than that produced through the traditional first-author co-citation counting when the same number of top-ranked authors is selected and analyzed. Reasons for these effects are discussed
Variations on the Author
Full text link“Variations on the Author” discusses two of Eduardo Coutinho’s recent films (Um Dia na Vida, from 2010, and Últimas Conversas, posthumously released in 2015) and their contribution to the general question of documentary authorship. The director’s filmography is characterized by a consistent yet self-effacing form of authorial self-inscription: Coutinho often features as an interviewer that rather than express opinions propels discourses; an interviewer that is good at listening. This mode of self-inscription characterizes him as an author who is not expressive but who is nonetheless markedly present on the screen. In Um Dia na Vida, however, Coutinho is completely absent form the image, while Últimas Conversas, on the contrary, includes a confessional prologue that moves the director from the margins to the center of his films. This article examines the ways in which these works stand out in the filmography of a director who offers new insights into the notion of cinematic authorship
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