Essays about: "Pamela H.W. Svensson"
Found 3 essays containing the words Pamela H.W. Svensson.
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1. Everything you wanted to know about the TPA molecule adsorbed on Au(111)
University essay from Uppsala universitet/MaterialteoriAbstract : The electronic properties of Triphenylamine (TPA) in gas phase and adsorbed on gold(111) have been simulated with Quantum Espresso using Density Functional Theory (DFT). To better understand how the presence of a gold surface affects sunlight absorption in the system, partial Density Of States (pDOS) and Near Edge X-ray Absorption Fine Structure (NEXAFS) of the system have been calculated. READ MORE
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2. Valence Band Properties of the Ruthenium Complex Catalyst Using Ab Initio Theory
University essay from Uppsala universitet/MaterialteoriAbstract : Ruthenium complexes has been geometrically optimized with different combinations of basis sets. Using single point calculation, the Density of States and partial Density of States has been calculated. RuIII-OH2 experienced a shift towards higher binding energies. READ MORE
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3. Molecular Dynamics Simulations of CsCl in Water
University essay from Uppsala universitet/Molekyl- och kondenserade materiens fysikAbstract : Salt is a common substance of which the structure has been investigated in this study. Molecular dynamics simulations has been performed of a solution of Caesium Chloride in water for four different concentrations. READ MORE