Adsorption of CO on a Platinum (111) surface - a study within a four-component relativistic density functional approach

We report on results of a theoretical study of the adsorption process of a single carbon oxide molecule on a Platinum (111) surface. A four-component relativistic density functional method was applied to account for a proper description of the strong relativistic effects. A limited number of atoms in the framework of a cluster approach is used to describe the surface. Different adsorption sites are investigated. We found that CO is preferably adsorbed at the top position.Comment: 23 Pages with 4 figure

Development of robust metal-supported SOFCs and stack components in EU METSAPP consortium

The potential of MS-SOFCs was demonstrated through the previous EU METSOFC project, which concluded that the development of oxidation resistant novel metal-supported solid oxide fule cell (MS-SOFC) design and stack is the requirement to advance this technology to the next level. The following EU METSAPP project has been executed with an overall aim of developing advanced metal-supported cells and stacks based on a robust, reliable and up-scalable technology. During the project, oxidation resistant nanostructured anodes based on modified SrTiO3 were developed and integrated into MS-SOFCs to enhance their robustness. In addition, the manufacturing of metal-supported cells with different geometries, scalability of the manufacturing process was demonstrated and more than 200 cells with an area of ∼150 cm2 were produced. The electrochemical performance of different cell generations was evaluated and best performance and stability combination was observed with doped SrTiO3 based anode designs. Furthermore, numerical models to understand the corrosion behavior of the MS-SOFCs were developed and validated. Finally, the cost effective concept of coated metal interconnects was developed, which resulted in 90% reduction in Cr evaporation, three times lower Cr2O3 scale thickness and increased lifetime. The possibility of assembling these cells into two radically different stack designs was demonstrated

Surface state transition and surface band structure of silicone

High-resolution energy loss spectroscopy has been studied with low-energy electrons scattered from clean silicon (111) surfaces. The spectra show losses due to transitions between occupied and empty "dangling bond" surface state bands. Two of such loss peaks centered around 0.54 and 2.25 eV are observed with surfaces exhibiting the metastable Si (111)-2xl cleavage structure, while after the structural conversion to the stable 7x7 structure only one loss centered around 1.7 eV is found. These peaks indicate two and one saddle points, respectively, in the energy difference function (E$_{1}(\underline{k}$) - E$_{2}$(k)) of the "dangling bond" surface bands correlated with the 2x1 and the 7x7 silicon (111) surface structures