Quantum Chemical Calculations of the Influence of Anchor-Cum-Spacer Groups on Femtosecond Electron Transfer Times in Dye-Sensitized Semiconductor Nanocrystals

Electronic properties of dye-sensitized semiconductor nanocrystals, consisting of perylene (Pe) chromophores attached to 2 nm TiO2 nanocrystals via different anchor-cum-spacer groups, have been studied theoretically using density functional theory (DFT) cluster calculations. Approximate effective el...

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Veröffentlicht in:	Journal of chemical theory and computation 2006-03, Vol.2 (2), p.441-451
Hauptverfasser:	Persson, P, Lundqvist, M. J, Ernstorfer, R, Goddard, W. A, Willig, F
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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