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We investigate the electronic structure of over-coordinated defects in amorphous silicon via density-functional total-energy calculations, with the aim of understanding the relationship between topological and electronic properties on a microscopic scale. ...
In tuberculosis, it is often important to establish the source of infection and to determine whether disease is due to a new strain of Mycobacterium tuberculosis or to relapse. To cope with the resurgence of tuberculosis and atypical mycobacterioses in AID ...
Photoemission spectromicroscopy was used to investigate the electronic structure of TiO2 anatase single crystals and polycrystalline thin films. The stoichiometry and the degree of oxidation of as-grown crystals, as-deposited films, as well as of thermally ...
High-resolution core and valence band photoemission as well as photoinduced Auger spectra of metallic Sn, polycrystalline SnO and SnO2 ((110) natural single-crystal cassiterite and polycrystalline) samples were measured in order to give information on loca ...
The investigation of the use of cyanine dyes in thin-film heterojunction photovoltaic devices was reported. It was shown that a carbocyanine dye acts as donor in conjunction with buckminsterfullerene (C60). Cyanine acts as acceptor when copoly(dicyano-phen ...
Exptl. evidence is presented for the process of MO Rydbergization postulated by Mulliken, whereby an antibonding orbital continuously changes its character from predominantly Rydberg to predominantly valence on its way to dissocn. By matrix-isolation spect ...
We show that an ab initio molecular-dynamics scheme based on Vanderbilt ultrasoft pseudopotentials and a plane-wave expansion for the electronic orbitals allows one to perform accurate calculations for large systems containing tightly bound d-electron stat ...
During the last decade, great advances have been made in the study of bacterial genomes which is perhaps better described by the term bacterial genomics. The application of powerful techniques, such as pulsed-field gel electrophoresis of macro-restriction ...
Schottky-barrier formation for Al on GaAs(110) was analyzed theoretically and with the aid of synchrotron-radiation photoemission experiments as a function of the metal coverage. For various Al-overlayer thicknesses we calculated the most stable geometries ...