Sökning: "transition metals"
Visar resultat 26 - 30 av 230 avhandlingar innehållade orden transition metals.
26. Studies of Material Properties using Ab Initio and Classical Molecular Dynamics
Sammanfattning : In this thesis, material properties have been examined under extreme conditions in computer-based calculations.The research on iron (Fe), nickel (Ni), and ferropericlase (Mg1-xFexO) are not only important for our understanding of the Earth, but also for an improved knowledge of these materials per se. LÄS MER
27. Electronic structure studies and method development for complex materials
Sammanfattning : Over the years electronic structure theory has proven to be a powerful method with which one can probe the behaviour of materials, making it possible to predict properties that are difficult to measure experimentally. The numerical tools needed for these methods are always in need of development, since the desire to calculate more complex materials pushes this field forward. LÄS MER
28. Investigations of Transition Metal Systems : Angle-Resolved Photoelectron Spectroscopy at Low and High Energy
Sammanfattning : The work presented in this thesis aims at achieving an increased understanding of the electronic structure of materials whose properties are to a large extent governed by transition metals. All studies are based on data from angle-resolved photoelectron spectroscopy (ARPES) employed on the valence band of the studied systems. LÄS MER
29. Hydrogen in nano-sized metals : Diffusion and hysteresis effects
Sammanfattning : Metal hydrides can be used as hydrogen storage materials for fuel cells and batteries, and as sensors for detecting hydrogen gas. The use of metal hydrides for hydrogen storage can be hindered by poor kinetics and low capacity. Moreover, poor sensitivity, long recovery and response time, limit the applications of metal hydrides as hydrogen sensors. LÄS MER
30. Designing and Tuning the Properties of Materials by Quantum Mechanical Calculations
Sammanfattning : In many materials, changes in chemical composition, pressure or temperature can induce metal to insulator transitions. It is recently observed in yttrium hydride, for example, changes from a shiny mirror (YH2) to a transparent window (YH3), which has important technological application in optical devices. LÄS MER