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.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
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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.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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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.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2000
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