DFT study of oxygen adsorption on modified nanostructured gold pyramids

Article Abstract:

Periodic density functional theory calculations are used to predict and investigate the adsorption behavior of molecular oxygen on Au, Au/Pt, and Pt surfaces. The adsorption of molecular oxygen on a pure gold pyramid is exothermic by 0.77 eV while in the case of a pure platinum pyramid, the end-on adsorption mode was found to dissociate but a side-on geometry was encountered with energy of adsorption of 2.3 eV.

Usage, Adsorption, Density functionals, Density functional theory, Platinum compounds, Chemical properties

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Ligand effects on ESR and optical properties of gold atoms in gamma irradiated organic solid solutions at 77 K

Article Abstract:

Ligand effects on ESR and optical properties of Au(super 0) atoms produced at 77 K in gamma irradiated solid solutions of AuCl/MTHF (methyltetrahydrofuran) and AuCl/EtOH with and without HCL were investigated. It was confirmed that Au(super 0) atoms produced after gamma irradiation were located in the nuclear environment of isotropic interaction with surrounding ligand molecules.

Industrial Organic Chemicals, Cyclic Crude and Intermediate Manufacturing, Furan, Ligands, Ligands (Chemistry), Furans, Atomic properties

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Nonlinear absorption properties in novel gold nanostructured topologies

Article Abstract:

The nonlinear optical (NLO) properties of different gold metal nanostructured geometries are reported. Gold dendrimer metal nanocomposites are synthesized by first using an amine terminated poly(amidoamine) (PAMAM) dendrimer and later a dansyl chromophore functionalized (PAMAM) denrimer.

Nonlinear optics, Dendrimers

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