Ultrafast heterogeneous electron transfer in nanohybrid systems: computational studies on perylene at TiO2 clusters

Volkhard May

doi:10.1117/12.680393

30 August 2006 Ultrafast heterogeneous electron transfer in nanohybrid systems: computational studies on perylene at TiO₂ clusters

Volkhard May

Author Affiliations +

Proceedings Volume 6325, Physical Chemistry of Interfaces and Nanomaterials V; 63250O (2006) https://doi.org/10.1117/12.680393
Event: SPIE Optics + Photonics, 2006, San Diego, California, United States

Abstract

Ultrafast heterogeneous electron transfer (HET) between a molecule attached to a semiconductor nanocluster and the band states of the cluster is discussed theoretically with emphasis on the perylene TiO₂ system. The whole approach has been formulated in such a way to be ready to describe different optical excitation and detection processes. Therefore, a model is introduced which accounts for the specialty of the molecule i.e. its particular electronic level scheme together with its vibrational degrees of freedom as well as the band continuum of the semiconductor. Calculations of the steady state linear absorption spectra are used to adjust the parameters of perylene attached to nano-structured TiO₂ via different bridge-anchor groups. These data are used to compute the temporal evolution of the energetic distribution of the injected electron. Finally, it is demonstrated that a two-photon photon emission spectrum carries signatures of the molecular vibrations.

Citation Download Citation

Volkhard May "Ultrafast heterogeneous electron transfer in nanohybrid systems: computational studies on perylene at TiO₂ clusters", Proc. SPIE 6325, Physical Chemistry of Interfaces and Nanomaterials V, 63250O (30 August 2006); https://doi.org/10.1117/12.680393

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