Title:	Tailoring the Optical Properties of Organic D-π-A Photosensitizers: Effect of Sulfur Introduction in the Acceptor
DNr:	SNIC 2019/7-5
Project Type:	SNIC Small Compute
Principal Investigator:	Daniele Franchi <daniele.franchi87@gmail.com>
Affiliation:	Kungliga Tekniska högskolan
Duration:	2019-02-01 – 2021-02-01
Classification:	10407
Keywords:

Abstract

Synthesis and characterization of potential DSSC organic sensitizers whose cyanoacrylic acceptor/anchoring group is modified by replacement of oxygen with one or more sulfur atoms. spectroscopic properties will be compared by analyzing the corresponding benzylic esters. Transient absorption spectroscopy studies suggested that photoexcited thiocarboxylic acid and thioamide were able to inject electrons into nanocrystalline TiO2 and indicated a similar charge injection efficiency for these compounds with respect to reference dyes used in DSSC. Using known carboxylic acid dye DF15 as a reference, TD‐DFT computational analysis will be done to predict to what extent oxygen‐sulfur substitution could affect the UV/Vis absorption spectra and electronic properties of the dye when adsorbed on semiconductors like TiO2.