title: Photocurrent in Multilayered Assemblies of Porphyrin-Fullerene Covalent Dyads: Evidence for Channels for Charge Transport.
abstract: Specially designed porphyrin-fullerene dyads have been synthesized to verify literature predictions based on quantum chemistry calculations that certain porphyrin-fullerene dyads are able to self-arrange into specific structures providing channels for charge transport in a bulk mass of organic compound. According to AFM and SEM data, the newly synthesized compounds were indeed prone to some kind of self-arrangement, although to a lesser degree than was expected. A dispersion corrected DFT study of the molecular non-covalent interactions performed at the DFT-D3 (B3LYP, 6-31G*) level of theory showed that the least energy corresponded to head-to-head dimers, with close contacts of porphyrin-porphyrin and fullerene-fullerene fragments, thus providing a unit building block of the channel for charge transport. Experimental proof for the existence of channels for charge transport was obtained by observing a photocurrent in a simple photovoltaic cell.
authors.affiliation: Institute of Chemistry, Saint Petersburg State University, Universiteskii pr. 26, Petrodvorets, 198504, St. Petersburg, Russian Federation. a.konev@spbu.ru.
authors.forename: Alexander S
authors.identifier: http://orcid.org/0000-0003-4899-1125
authors.initials: AS
authors.lastname: Konev
authors.affiliation: Institute of Chemistry, Saint Petersburg State University, Universiteskii pr. 26, Petrodvorets, 198504, St. Petersburg, Russian Federation. a.khlebnikov@spbu.ru.
authors.forename: Alexander F
authors.initials: AF
authors.lastname: Khlebnikov
authors.affiliation: Institute of Chemistry, Saint Petersburg State University, Universiteskii pr. 26, Petrodvorets, 198504, St. Petersburg, Russian Federation.
authors.forename: Oleg V
authors.identifier: http://orcid.org/0000-0002-4538-316X
authors.initials: OV
authors.lastname: Levin
authors.affiliation: Institute of Chemistry, Saint Petersburg State University, Universiteskii pr. 26, Petrodvorets, 198504, St. Petersburg, Russian Federation.
authors.forename: Daniil A
authors.initials: DA
authors.lastname: Lukyanov
authors.affiliation: Institute of Chemistry, Saint Petersburg State University, Universiteskii pr. 26, Petrodvorets, 198504, St. Petersburg, Russian Federation.
authors.forename: Ivan M
authors.initials: IM
authors.lastname: Zorin
mesh_terms: D037741:Fullerenes / Q000737:chemistry*; D018625:Microscopy, Atomic Force; D008855:Microscopy, Electron, Scanning; D011166:Porphyrins / Q000737:chemistry*
chemical_list: D037741:Fullerenes; D011166:Porphyrins
keywords: density functional calculations; energy conversion; fullerenes; porphyrins