Sökning: "Cecilia Århammar"
Hittade 2 avhandlingar innehållade orden Cecilia Århammar.
1. Study of solid oxide systems from first principles calculations : energetics and magnetic properties of native defects and dopants in ZrO2 and MgO
Sammanfattning : .... LÄS MER
2. Atomistic modelling of functional solid oxides for industrial applications : Density Functional Theory, hybrid functional and GW-based studies
Sammanfattning : In this Thesis a set of functional solid oxides for industrial applications have been addressed by first principles and thermodynamical modelling. More specificially, measurable quantities such as Gibbs free energy, geometry and electronic structure have been calculated and compared when possible with experimental data. LÄS MER
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