Identification of fullerene-like CdSe nanoparticles from optical spectroscopy calculations

TitleIdentification of fullerene-like CdSe nanoparticles from optical spectroscopy calculations
Publication TypePalaiseau Article
Author Address

Botti, S (Reprint Author), Ecole Polytech, CNRS, CEA, Solides Irradies Lab, F-91128 Palaiseau, France. Ecole Polytech, CNRS, CEA, Solides Irradies Lab, F-91128 Palaiseau, France. Univ Coimbra, Dept Fis, Ctr Fis Computac, P-3004516 Coimbra, Portugal.

DOI10.1103/PhysRevB.75.035311
Botti, S, Marques, M
Year of Publication2007
JournalPHYSICAL REVIEW B
Volume75
URLhttp://dx.doi.org/10.1103/PhysRevB.75.035311
Keywordspaper
Abstract

Semiconducting nanoparticles are the building blocks of optical nanodevices as their electronic states, and therefore light absorption and emission, can be controlled by modifying their size and shape. CdSe is perhaps the most studied of these nanoparticles, due to the efficiency of its synthesis, the high quality of the resulting samples, and the fact that the optical gap is in the visible range. In this article, we study light absorption of CdSe nanostructures with sizes up to 1.5 nm within density functional theory. We study both bulk fragments with wurtzite symmetry and fullerene-like core-cage structures. The comparison with recent experimental optical spectra allows us to confirm the synthesis of these fullerene-like CdSe clusters.

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