Simulating Dye-Sensitized TiO2 Heterointerfaces in Explicit Solvent: Absorption Spectra, Energy Levels, and Dye Desorption

Author:

De Angelis Filippo1,Fantacci Simona12,Gebauer Ralph34

Affiliation:

1. Istituto CNR di Scienze e Tecnologie Molecolari (ISTM), c/o Dipartimento di Chimica, Università di Perugia, via Elce di Sotto 8, I-06123, Perugia, Italy

2. Center for Biomolecular Nanotechnology, Italian Institute of Technology (IIT), Via Barsanti, I-73010, Arnesano, Lecce, Italy

3. The Abdus Salam International Centre for Theoretical Physics (ICTP), Strada Costiera 11, I-34151 Trieste, Italy.

4. Istituto Officina dei Materiali, CNR-IOM DEMOCRITOS, I-34136 Trieste, Italy

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

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