Excited State Geometries and Vertical Emission Energies of Solvated Dyes for DSSC: A PCM/TD-DFT Benchmark Study-Reference-Cited by-同舟云学术

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Excited State Geometries and Vertical Emission Energies of Solvated Dyes for DSSC: A PCM/TD-DFT Benchmark Study

Published:2014-08-05 Issue:9 Volume:10 Page:3925-3933
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Bernini Caterina¹²,Zani Lorenzo³,Calamante Massimo³,Reginato Gianna³,Mordini Alessandro³,Taddei Maurizio¹,Basosi Riccardo¹²,Sinicropi Adalgisa¹²

Affiliation:

1. Dipartimento di Biotecnologie, Chimica e Farmacia, Università di Siena, Via A. Moro 2, 53100 Siena, Italy

2. CSGI, Consorzio per lo Sviluppo dei Sistemi a Grande Interfase, via della Lastruccia 3, 50019 Sesto Fiorentino, Florence, Italy

3. CNR − Istituto di Chimica dei Composti Organometallici (CNR-ICCOM), Via Madonna del Piano 10, 50019 Sesto Fiorentino, Florence, Italy

Funder

CINECA

Centro Ricerche Energia e Ambiente

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct500328t

Reference52 articles.

1. A low-cost, high-efficiency solar cell based on dye-sensitized colloidal TiO2 films

2. Dye-Sensitized Solar Cells

3. Review on dye-sensitized solar cells (DSSCs): Fundamental concepts and novel materials

4. Highly efficient dye-sensitized solar cells: progress and future challenges

5. Conversion of light to electricity by cis-X2bis(2,2'-bipyridyl-4,4'-dicarboxylate)ruthenium(II) charge-transfer sensitizers (X = Cl-, Br-, I-, CN-, and SCN-) on nanocrystalline titanium dioxide electrodes

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