Automated assessment of redox potentials for dyes in dye-sensitized photoelectrochemical cells

Author:

Belić Jelena1ORCID,Förster Arno1ORCID,Menzel Jan Paul2ORCID,Buda Francesco2ORCID,Visscher Lucas1ORCID

Affiliation:

1. Department of Chemistry and Pharmaceutical Sciences, Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV, Amsterdam, The Netherlands

2. Leiden Institute of Chemistry, Leiden University, Einsteinweg 55, P.O. Box 9502, 2300 RA, Leiden, The Netherlands

Abstract

The alignment of the GSOP, calculated with the adiabatic approach for large number of dyes, with the limitations of a hypothetical system – the CB edge of TiO2 semiconductor and highest oxidation potential of Ru-based WOC.

Funder

Nederlandse Organisatie voor Wetenschappelijk Onderzoek

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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