Sökning: "core-level spectroscopies"

Visar resultat 1 - 5 av 9 avhandlingar innehållade orden core-level spectroscopies.

  1. 1. Probing molecular adsorbates with core level spectroscopies : Electronic structure and bonding models

    Författare :Alexander Föhlisch; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Physics; Fysik; Physics; Fysik; fysik; Physics;

    Sammanfattning : Resonantly excited X-ray emission spectroscopy has been applied to study the valence electronic structure of molecular adsorbates in an atom specific and orbital symmetry selective manner. In combination with ab initio cluster calculations, electronic structure and bonding models have been derived. LÄS MER

  2. 2. Geometrical and electronic structure of adsorbates studied by core level spectroscopies

    Författare :Helena Tillborg; Uppsala universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP;

    Sammanfattning : .... LÄS MER

  3. 3. Application of core level spectroscopy to adsorbate and coadsorbate systems

    Författare :Jörgen Hasselström; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Physics; Fysik; Physics; Fysik; fysik; Physics;

    Sammanfattning : Different core level spectroscopies combined with quantum chemistry calculations have been applied to a number of adsorbate system. The objective has been to investigate the modification of the valence electronic structure of the adsorbates due to the chemical bond formed with the substrate atoms. LÄS MER

  4. 4. Local Structure of Hydrogen-Bonded Liquids

    Författare :Matteo Cavalleri; Lars G.M. Pettersson; John Tse; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; hydrogen-bond; water; ice; density functional theory; DFT; core-level spectroscopies; x-ray absorption; Physical chemistry; Fysikalisk kemi;

    Sammanfattning : Ordinary yet unique, water is the substance on which life is based. Water seems, at first sight, to be a very simple molecule, consisting of two hydrogen atoms attached to one oxygen. LÄS MER

  5. 5. Multiplet computation methods for core level X-ray spectroscopy of transition metal and rare earth elements

    Författare :Xiao Cheng; Yi Luo; Marcus Lundberg; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; multiplet calculation; core level X-ray spectroscopy; transition metal; rare earth element; XAS; XPS; RIXS; Biotechnology; Bioteknologi;

    Sammanfattning : With the development of new generation synchrotron facilities, the performances of various X-ray spectroscopies have become more advanced. In order to interpret the X-ray spectrum experiments of various novel materials related to transition metal and rare earth elements, new advanced theoretical methods are required. LÄS MER