Helical push-pull systems for solar cells: Electrochemical, computational, photovoltaic and NMR data
Davide Dova,
Silvia Cauteruccio,
Norberto Manfredi,
Stefan Prager,
Andreas Dreuw,
Serena Arnaboldi,
Patrizia R. Mussini,
Emanuela Licandro,
Alessandro Abbotto
Affiliations
Davide Dova
Dipartimento di Chimica, Università degli Studi di Milano, via Golgi 19, I-20133 Milan, Italy
Silvia Cauteruccio
Dipartimento di Chimica, Università degli Studi di Milano, via Golgi 19, I-20133 Milan, Italy; Corresponding authors.
Norberto Manfredi
Department of Materials Science and Solar Energy Research Center MIB-SOLAR, University of Milano-Bicocca, and INSTM Milano-Bicocca Research, Via Cozzi 55, I-20125 Milan, Italy; Corresponding authors.
Stefan Prager
Interdisciplinary Center for Scientific Computing, Heidelberg University, Im Neuenheimer Feld 368, 69120 Heidelberg, Germany
Andreas Dreuw
Interdisciplinary Center for Scientific Computing, Heidelberg University, Im Neuenheimer Feld 368, 69120 Heidelberg, Germany
Serena Arnaboldi
Dipartimento di Chimica, Università degli Studi di Milano, via Golgi 19, I-20133 Milan, Italy
Patrizia R. Mussini
Dipartimento di Chimica, Università degli Studi di Milano, via Golgi 19, I-20133 Milan, Italy
Emanuela Licandro
Dipartimento di Chimica, Università degli Studi di Milano, via Golgi 19, I-20133 Milan, Italy
Alessandro Abbotto
Department of Materials Science and Solar Energy Research Center MIB-SOLAR, University of Milano-Bicocca, and INSTM Milano-Bicocca Research, Via Cozzi 55, I-20125 Milan, Italy
The data presented in this article are related to the research article entitled “An unconventional helical push-pull system for solar cells” (Dova et al., 2019). This article provides: a) the cyclic voltammogram plots in solution of helical push-pull sensitizers and the corresponding precursors; b) the visualization of the leading natural transition orbital (NTO) pairs obtained by theoretical calculation of frontiers orbitals; c) J/V curves of dye-sensitized solar cells (DSSC) sensitized by the dyes, without 3a,7a-dihydroxy-5b-cholic acid (CDCA) as co-adsorbent agent; d) 1H and 13C NMR spectra of dyes.
