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Showing 1 to 1 of 1 for “"aromatic adsorption"”.
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Density Functional Theory Study of Aromatic Adsorption on Iron Surfaces
This thesis studies the adsorption behaviour of aromatic molecules on iron surfaces using density functional theory (DFT) calculations. The adsorbates studied are benzene ($C_{6}H_{6}$), naphthalene ($C_{8}H_{10}$) and quinolinium ($C_{7}H_{10}N^{+}$) as well as a molecule composed of these …