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An Open Access Data Set Highlighting Aggregation of Dyes on Metal Oxides

Department of Chemistry, Norwegian University of Science and Technology, 7491 Trondheim, Norway
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Received: 2 April 2020 / Revised: 24 April 2020 / Accepted: 11 May 2020 / Published: 13 May 2020
(This article belongs to the Special Issue Machine Learning and Materials Informatics)
The adsorption of a dye to a metal oxide surface such as TiO2, NiO and ZnO leads to deprotonation and often undesirable aggregation of dye molecules, which in turn impacts the photophysical properties of the dye. While controlled aggregation is useful for some applications, it can result in lower performance for dye-sensitized solar cells. To understand this phenomenon better, we have conducted an extensive search of the literature and identified over 4000 records of absorption spectra in solution and after adsorption onto metal oxide. The total data set comprises over 3500 unique compounds, with observed absorption maxima in solution and after adsorption on the semiconductor electrode. This data may serve to provide further insight into the structure-property relationships governing dye-aggregation behaviour. View Full-Text
Keywords: dye sensitized solar cell; aggregation; database; absorption; solvent polarity dye sensitized solar cell; aggregation; database; absorption; solvent polarity
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Venkatraman, V.; Kallidanthiyil Chellappan, L. An Open Access Data Set Highlighting Aggregation of Dyes on Metal Oxides. Data 2020, 5, 45.

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