Sökning: "Maria Alfredsson"

Hittade 2 avhandlingar innehållade orden Maria Alfredsson.

  1. 1. Polar molecules in crystalline and surface environments : From first principles

    Författare :Maria Alfredsson; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Chemistry; Kemi; Chemistry; Kemi; Inorganic Chemistry; oorganisk kemi;

    Sammanfattning : With the knowledge of the composition and structure of a chemical system, be it a molecule, a two-dimensional surface or a three-dimensional crystal, it is now possible to predict the specific properties of the compound under consideration via computational studies. Molecular and periodic Hartree-Fock and DFT calculations have been used as a tool to study polar molecules and how their properties respond to the molecular environment in a crystal or on an ionic surface. LÄS MER

  3. 2. Insights in Li-ion Battery Interfaces through Photoelectron Spectroscopy Depth Profiling

    Författare :Bertrand Philippe; Kristina Edström; Danielle Gonbeau; Hakan Rensmo; Rémi Dedryvère; Rosa Palacin; Maria Alfredsson; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Lithium-ion batteries; negative electrodes; silicon; MnSn2; SEI; PES; XPS; synchrotron; Chemistry with specialization in Inorganic Chemistry; Kemi med inriktning mot oorganisk kemi;

    Sammanfattning : Compounds forming alloys with lithium, such as silicon or tin, are promising negative electrode materials for the next generation of Li-ion batteries due to their higher theoretical capacity compared to the current commercial electrode materials.An important issue is to better understand the phenomena occurring at the electrode/electrolyte interfaces of these new materials. LÄS MER