Optical properties of cadmium sulfide clusters

Article Abstract:

The excitation spectra of stoichiometric cadmium sulfide clusters are calculated upto 144 atoms using a time-dependent extension of a density-functional tight-binding method. The spectra show a strong dependency of the lowest unoccupied molecular orbitals on the structural properties of the clusters, especially on the number of single-bonded surface bonds.

Cadmium Compounds, Optical properties, Stoichiometry

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Structural and electronic properties of nanostructured HAlO

Article Abstract:

The results of a theoretical study of the nanostructured ternary compound HAlO are presented. Isolated (HAlO)(sub n) clusters are considered and isolated structures with n up to 6 are studied intensively with pure DFT methods.

Aluminum Hydroxide, Analysis, Nanotechnology, Density functionals, Density functional theory, Structure, Atomic properties

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Structural and electronic properties of cadmium sulfide clusters

Article Abstract:

Stoichiometric CdnSn clusters are shown to rely on n for n up to around 100.

Cadmium

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