Search for dissertations about: "adsorbates"

Showing result 21 - 25 of 61 swedish dissertations containing the word adsorbates.

  1. 21. Theoretical modeling of x-ray and vibrational spectroscopies applied to liquid water and surface adsorbates

    Author : Mathias P. Ljungberg; Lars Pettersson; Shaul Mukamel; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; water; XAS; XES; IR; Raman; Chemical physics; Kemisk fysik; kemisk fysik; Chemical Physics;

    Abstract : This thesis presents results of theoretical modeling of x-ray and vibrational spectroscopies applied to liquid water and to CO adsorbed on a Ni(100) surface. The Reverse Monte Carlo method is used to search for  water structures that reproduce diffraction, IR/Raman and x-ray absorption by fitting them to experimental data and imposed constraints. READ MORE

  2. 22. X-ray scattering by molecules, surface-adsorbates and solids with a coupling to the nuclear motion

    Author : Timofei Privalov; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Chemistry; Kemi;

    Abstract : .... READ MORE

  3. 23. Density Functional Theory Calculations of Graphene based Humidity and Carbon Dioxide Sensors

    Author : Karim Elgammal; Anna Delin; Biplab Sanyal; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; DFT; graphene; sensors; Quantum Espresso; ab-initio; Fysik; Physics;

    Abstract : Graphene has many interesting physical properties which makes it useful for plenty of applications. In this work we investigate the possibility of using graphene as a carbon dioxide and humidity sensor. READ MORE

  4. 24. Density Functional Theory Calculations for Graphene-based Gas Sensor Technology

    Author : Karim Elgammal; Anna Delin; Giuseppe Iannaccone; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; graphene; ab-initio; humidity; carbon dioxide; substrate; DFT; vdW; first-principle; simulation; calculations; Fysik; Physics;

    Abstract : Nowadays, electronic devices span a diverse pool of applications, especially when getting smaller and smaller satisfying the more than Moore paradigm. To further develop this, studies focusing on material design toward electronic devices are crucial. READ MORE

  5. 25. Synthesis and Self-Assembly of Functional Molecules: Systems Toward Molecular Electronics

    Author : Daniel Nilsson; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES;

    Abstract : Synthesis and Self-Assembly of Functional Molecules:Systems Toward Molecular Electronics Daniel NilssonOrganic Chemistry, Department of Chemical and Biological EngineeringChalmers University of TechnologyAbstractIn this Thesis, different molecules with possible use in molecular electronics are reported. The focus is on the synthesis of the molecules and their use as adsorbates in self-assembled monolayers (SAMs). READ MORE