Sökning: "Hydrogen bond adsorption"

Visar resultat 1 - 5 av 31 avhandlingar innehållade orden Hydrogen bond adsorption.

1. 1. Adsorption of Molecular Hydrogen on Cu, Pd and Ni Surfaces

   Författare :Krister Svensson; Chalmers tekniska högskola; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; electron energy loss spectroscopy; nickel; molecular chemisorption; hydrogen; palladium; physisorption; photodesorption; copper;

   Sammanfattning : This thesis is devoted to spectroscopic studies of molecular hydrogen adsorbed on metal surfaces. Hydrogen is the simplest molecule available and is a very valuable model adsorbate. From a spectroscopic point of view there are also three easily accessible molecular isotopes, H2, HD and D2, with widely different masses. LÄS MER

3. 2. Core Level Spectroscopy of Water and Ice

   Författare :Dennis Nordlund; Anders Nilsson; Martin Wolf; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; x-ray adsorption spectroscopy; photoemission spectroscopy; x-ray photoelectron spectroscopy; platinum; x-ray emission spectroscopy; density functional theory; hydrogen-bonded; H-bond; water; ice; electronic structure; excited state dynamics; proton dynamics; water adsorption; liquid water; Physics; Fysik;

   Sammanfattning : A core level spectroscopy study of ice and water is presented in this thesis. Combining a number of experiments and spectrum calculations based on density functional theory, changes in the local valence electronic structure are shown to be sensitive to the local H-bonding configurations. LÄS MER

4. 3. Structure, Bonding and Chemistry of Water and Hydroxyl on Transition Metal Surfaces

   Författare :Klas Andersson; Anders Nilsson; Falko Netzer; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; core-level spectroscopy; surface chemistry; water; hydroxyl; metal surfaces; adsorption; structure; hydrogen bonding; Chemical physics; Kemisk fysik;

   Sammanfattning : The structure, bonding and chemistry of water and hydroxyl on metal surfaces are presented. Synchrotron based x-ray photoelectron- and x-ray absorption spectroscopy along with density functional theory calculations mainly form the basis of the results. 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. Micro-reaction Mechanism Study of the Biomass Thermal Conversion Process using Density Functional Theory

   Författare :Xiaolei Zhang; Weihong Yang; Linda J. Broadbelt; KTH; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; biomass thermal conversion; cellulose pyrolysis; char steam gasification; adsorption; interaction; mechanism; quantum chemistry; density functional theory;

   Sammanfattning : Biomass, or bio-energy, is one of the most important alternative energies because of environmental concerns and the future shortage of fossil fuels. Multi-scaled bioenergy studies have been performed in the division of Energy and Furnace Technology, which included studies of macroscopic systems such as systems and reactors, modeling of computational fluid dynamics (CFD), and atomic/molecular level studies. LÄS MER