Atomic Scale Observation of Chemical and Electronic Properties of Metal-Oxide Surfaces
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Results of a theoretical study on the properties of Ir4 clusters in the gas–phase and on oxide surfaces are presented. The work is based on density functional theory (DFT) within the generalized gradient approximation (GGA) and ultrasoft pseudopotentials. ...
The long term fixation of biomedical implants constitutes an issue in the clinical praxis. Implant fixation can be improved by functionalizing its surface. In fact, the tissue response around an implant is conditioned by its surface morphological and chemi ...
In this study, we describe synthesis, characterization, and zipper assembly of yellow p-oligophenyl naphthalenediimide (POP-NDI) donor−acceptor hybrids. Moreover, we disclose, for the first time, results from the functional comparison of zipper and layer-b ...
We report on photoluminescence decay measurements of CdSe nanoparticles over several decades of intensities and times, and as a function of size and temp. A model is proposed for the multi-exponential decay kinetics, and their temp. dependence, in which a ...
Novel TiO2-modified macroporous materials (Ti-MOSF, see figure) have been synthesized with high surface area, large pore volume, and functional surfaces that are rich in coordinatively unsaturated TiIV species, which can be applied in the specific extracti ...
We study the relaxations, surface energies, and work functions of low-index metallic surfaces using pseudopotential plane-wave density-functional calculations within the generalized gradient approximation. We study here the (100), (110), and (111) surfaces ...
Electrochemical scanning tunneling microscopy was used to assess the distance dependence of electron transfer facilitated by a bacterial multiheme cytochrome to a single crystal iron oxide surface. We measured tunneling current-distance (I-s) profiles acro ...
The influence of the coordination on the Kondo temperature of a magnetic impurity at a noble metal surface and the line shape observed in low temperature scanning tunneling spectroscopy (STS) is investigated for single cobalt atoms adsorbed on and embedded ...
We recently proposed a structural model for the Si!331"-!12!1" surface reconstruction containing silicon pentamers and adatoms as elementary structural building blocks. Using first-principles density functional theory we here investigate the stability of a ...
Parylene films loaded with TiO2 are reported as hotocatalysts in azo dye discoloration processes. The TiO2 loading of the parylene film was 0.32% (w/w) and the amount of TiO2 on the film was about two orders of magnitude below the TiO2 added in suspension ...