Sökning: "metal-hydrogen systems"
Visar resultat 1 - 5 av 6 avhandlingar innehållade orden metal-hydrogen systems.
1. Theoretical Investigations of Selected Heavy Elements and Metal-hydrogen Systems by Means of Electronic Structure Calculations
Sammanfattning : Using ab initio electronic structure calculations based on density functional theory the crystal, electronic and magnetic structures of selected materials have been investigated. The materials which are the subjects of these investigations can be divided into two groups. LÄS MER
2. Metal Hydrogen Interaction and Structural Characterization of Amorphous Materials from first principles
Sammanfattning : In this thesis, first-principles calculations based on density functional theory have been employed to investigate metal hydrogen interaction in transition, p-block and rare earth metals. Furthermore, the accuracy of the stochastic quenching method was tested in describing the structure of amorphous Fe(1-x)Zrx. LÄS MER
3. Modelling of hydrogen interactions in metals
Sammanfattning : .... LÄS MER
4. Light-Metal Hydrides for Hydrogen Storage
Sammanfattning : Demands for zero greenhouse-gas emission vehicles have sharpened with today’s increased focus on global warming. Hydrogen storage is a key technology for the implementation of hydrogen powered vehicles. LÄS MER
5. Transition Metal Hydride Complexes and Hydrogenated Gallium Clusters : Synthesis and Structural Properties
Sammanfattning : Synthesis and structural characterisation of metal hydrides in two important systems are presented. The first system presented is low valent cobalt and nickel complex hydrides with the compositions BaMg5Co2H10, RbMg5CoNiH10, SrMg2CoH7and Sr4Mg4Co3H19 featuring nickel with oxidation state of 0 and cobalt with oxidation state +I and -I. LÄS MER