Density-functional study of the adsorption and vibration spectra of benzene molecules on Pt(111)

Article Abstract:

The adsorption and vibration spectra of benzene molecules on Pt(111) are studied using density-functional theory. Among the six high-symmetry adsorption modes for the molecule, the most stable one corresponds to a bridge site, the C-C bonds in benzene being rotated by 30degrees with respect to the atomic directions on the surface.

Petrochemical Manufacturing, Benzene, Analysis, Spectra, Vibrational spectra

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Theoretical study on Pt particle adsorbate bonding: Influence of support ionicity and implications for catalysis

Article Abstract:

The influence of the support ionicity on the adsorption of H, CH(sub x), and O on supported Pt particles is investigated using density functional theory (DFT). The findings suggest that the hydrogen and oxygen coverage on Pt particles are strongly determined by the ionicity and acid/base properties of the support.

Science & research, Research, Adsorption

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