Journal of Photochemistry and Photobiology A: Chemistry 357 (2018) 60–71 Contents lists available at ScienceDirect Journal of Photochemistry and Photobiology A: Chemistry journal home page : www.elsevier.com/locat e/jphotochem Interaction between dyes and iodide mediators in p-type dye-sensitized solar cells Hitoshi Kusama National Institute of Advanced Industrial Science and Technology (AIST), AIST Tsukuba Central 5, 1-1-1 Higashi, Tsukuba, Ibaraki 305-8565, Japan A R T I C L E I N F O A B S T R A C T Article history: Received 31 January 2018 The intermolecular interactions of a cyclometallated Ru-complex dye (1) and a diketopyrrolopyrrole- Received in revised form 16 February 2018 based organic dye (2) with iodine species (I , I , and I ) were investigated using density functional 3 2 2 Accepted 17 February 2018 theory. The reduced dyes mainly interact with I via the reductive cleavage of the II bond, thus Available online 19 February 2018 forming [I Dye I ]. The I interaction also involves II bond dissociation by single-electron 2 2 transfer from the reduced dye to I to form a [I Dye I ] complex. In most of the reduced dye–I 2 2 Keywords:
Journal of Photochemistry and Photobiology A: Chemistry – Elsevier
Published: Apr 15, 2018
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