Density functional study on a light-harvesting carotenoid-porphyrin-C60 molecular triadJournal of Chemical Physics (2007)
AbstractWe present a study on the electronic structure of a biology-inspired molecular triad which shows promises in replicating photosynthesis process in the laboratory. The triad contains three different units - \C60, porphyrin and beta-carotenoid. We present its geometrical and electronic structure, dipole moments, optical absorption spectrum and its polarizability calculated with an all-electron density functional approach. Such a study will be useful for further understanding of its photo-conversion properties.
- electronic structure,
Publication DateOctober 10, 2007
Citation InformationTunna Baruah. "Density functional study on a light-harvesting carotenoid-porphyrin-C60 molecular triad" Journal of Chemical Physics (2007)
Available at: http://works.bepress.com/tunna_baruah/2/