Electron dynamics at polyacene/Au (111) interfaces

Article Abstract:

A study is done to determine the excited electronic structure and dynamics at polyacene/Au (111) interfaces. The unoccupied molecular orbitals are not strongly coupled to the delocalized metal stages or image potential resources as indicated by the insensitivity of the image resonances to the size of the polyacene molecules and the absence of photoinduced electron transfer from the metal substrate to molecular states.

Electric properties, Chemical synthesis, Molecular orbitals

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Analysis of O2 adsorption on binary-alloy clusters of gold: Energetics and correlations

Article Abstract:

The density functional theory computations along with statistical mechanics are performed in detail to obtain the energetics of O2 adsorption on pure and Au-alloy clusters with Ag, Cu, Pd, and Pt and Na atoms as alloy atoms. It was inferred from the energetics of fragmentations that the bare and O2-covered clusters are stable.

Metallic oxides, Metal oxides, Adsorption, Density functionals, Density functional theory, Mechanical properties, Properties

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