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Regeneration of Oxidized Organic Photo‐Sensitizers in Grätzel Solar Cells: Quantum‐Chemical Portrait of a General Mechanism
Author(s) -
Nyhlen Jonas,
Boschloo Gerrit,
Hagfeldt Anders,
Kloo Lars,
Privalov Timofei
Publication year - 2010
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201000225
Subject(s) - photosensitizer , chemistry , quantum chemical , photochemistry , redox , electron transfer , charge (physics) , molecule , organic chemistry , physics , quantum mechanics
Everything is connected: DFT calculations show the connection between the highlighted charge‐transfer complexes of an oxidized organic photosensitizer (D + ) and I − , as well as I 2 − , and the complete redox process: a two‐step one‐electron transfer pathway (A), as well as an alternative pathway (B), which involves D + and I 2 − directly (see scheme).