Excited state properties of a series of molecular photocatalysts investigated by time dependent density functional theory-Reference-Cited by-同舟云学术

Excited state properties of a series of molecular photocatalysts investigated by time dependent density functional theory

Author:

Martynow Miłosz¹²³⁴^ORCID,Kupfer Stephan⁵⁶⁷⁸^ORCID,Rau Sven⁹¹⁰¹¹⁸^ORCID,Guthmuller Julien¹²³⁴^ORCID

Affiliation:

1. Faculty of Applied Physics and Mathematics

2. Gdańsk University of Technology

3. 80233 Gdańsk

4. Poland

5. Institute of Physical Chemistry and Abbe Center of Photonics

6. Friedrich Schiller University Jena

7. 07743 Jena

8. Germany

9. Institute of Inorganic Chemistry I

10. University of Ulm

11. 89081 Ulm

Abstract

Excited state characters and energies of molecular photocatalysts are calculated by TDDFT to deduce trends for the electron transfer efficiencies.

Funder

European Cooperation in Science and Technology

Narodowe Centrum Nauki

Deutsche Forschungsgemeinschaft

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

Reference36 articles.

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