Sökning: "Adsorbate-adsorbate interaction"

Hittade 5 avhandlingar innehållade orden Adsorbate-adsorbate interaction.

1. 1. Modelling of hydrogen interactions in metals

   Författare :Aare Mällo; Chalmers tekniska högskola; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Adsorbate-adsorbate interaction; thermal desorption spectroscopy; metal-hydrogen systems; elastic interaction; total-energy calculations;

   Sammanfattning : .... LÄS MER

3. 2. Probing molecular adsorbates with core level spectroscopies : Electronic structure and bonding models

   Författare :Alexander Föhlisch; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Physics; Fysik; Physics; Fysik; fysik; Physics;

   Sammanfattning : Resonantly excited X-ray emission spectroscopy has been applied to study the valence electronic structure of molecular adsorbates in an atom specific and orbital symmetry selective manner. In combination with ab initio cluster calculations, electronic structure and bonding models have been derived. LÄS MER

4. 3. Chemical Bonding of Hydrocarbons to Metal Surfaces

   Författare :Henrik Öström; Anders Nilsson; Phil Woodruff; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Adsorption; hydrocarbon; core-level; spectroscopy; Physics; Fysik;

   Sammanfattning : Using x-ray absorption spectroscopy (XAS), x-ray emission spectroscopy (XES) and x-ray photoelectron spectroscopy (XPS) in combination with density functional theory (DFT) the changes in electronic and geometric structure of hydrocarbons upon adsorption are determined. The chemical bonding is analyzed and the results provide new insights in the mechanisms responsible for dehydrogenation in heterogeneous catalysis. LÄS MER

5. 4. Catalytic Water Production from First-Principles Calculations

   Författare :Gustav Karlberg; Chalmers tekniska högskola; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; platinum; Monte Carlo; first-principles; hydroxyl; transition metals; density functional theory DFT ; Metropolis; oxygen; water; water production reaction; hydrogen;

   Sammanfattning : The main subject of this thesis is the catalytic water production reaction on metal surfaces. This reaction is of great current interest due to its importance in fuel cells, a clean and efficient way to convert chemical energy into electrical. LÄS MER

7. 5. Surface and Interface Phenomena Studied with Pd Metal-Oxide-semiconductor Structures : Adsorption, catalytic reactions, hydrogen sensing and Pd restructuring

   Författare :Mats Eriksson; Wolfgang Göpel; Linköpings universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

   Sammanfattning : The electronic properties of palladium metal-oxide-semiconductor (Pd-MOS) structures are highly sensitive to hydrogen over a large pressure range. Such devices have been found useful in several applications, e.g. as a chemical sensing element in the so called electronic nose. LÄS MER