Linker dependence of interfacial electron transfer rates in Fe(II)-polypyridine sensitized solar cells

Journal of Physics. Condensed Matter : an Institute of Physics Journal
David N BowmanElena Jakubikova

Abstract

Dye-sensitized solar cells (DSSCs) convert solar energy to electricity employing dye molecules attached to a semiconductor surface. Some of the most efficient DSSCs use Ru-based chromophores. Fe-based dyes represent a cheaper and more environmentally friendly alternative to these expensive and toxic dyes. The photoactive state of Fe-based chromophores responsible for charge-separation at the dye-semiconductor interface is, however, deactivated on a sub-picosecond time scale via the intersystem crossing (ISC) into a manifold of low-lying photo-inactive quintet states. Therefore, development of Fe-based dyes capable of fast interfacial electron transfer (IET) leading to efficient charge separation on a time scale competitive with the ISC events is important. This work investigates how linker groups anchoring a prototypical Fe-based dye [Fe(bpy-L)2(CN)2] (bpy = 2,2'-bipyridine, L = linker group) onto the TiO2 semiconductor surface influence the IET rates in the dye-semiconductor assemblies. Linker groups investigated include carboxylic acid, phosphonic acid, hydroxamate, catechol, and acetylacetonate. We employ time-dependent density functional theory (TD-DFT) to obtain absorption spectra of [Fe(bpy-L)2(CN)2] with each linker, and...Continue Reading

References

Dec 15, 1994·Physical Review. B, Condensed Matter·P E Blöchl
Oct 15, 1996·Physical Review. B, Condensed Matter·G Kresse, J Furthmüller
Jan 1, 1993·Physical Review. B, Condensed Matter·G Kresse, J Hafner
Oct 28, 1996·Physical Review Letters·J P PerdewM Ernzerhof
Feb 24, 2001·Inorganic Chemistry·M YangG J Meyer
Jun 26, 2003·Journal of the American Chemical Society·Luis G C Rego, Victor S Batista
Sep 30, 2004·Journal of the American Chemical Society·Tamotsu HoriuchiSatoshi Uchida
Mar 31, 2005·Annual Review of Physical Chemistry·Neil A Anderson, Tianquan Lian
Sep 27, 2005·Inorganic Chemistry·Michael Grätzel
Dec 22, 2005·Journal of the American Chemical Society·Sabas G AbuabaraVictor S Batista
Oct 25, 2006·Annual Review of Physical Chemistry·Walter R Duncan, Oleg V Prezhdo
Nov 17, 2006·Langmuir : the ACS Journal of Surfaces and Colloids·Jing YangA James McQuillan
Jan 11, 2007·The Journal of Chemical Physics·Kasper P JensenUlf Ryde
Jun 28, 2008·Journal of the American Chemical Society·Hao QinMichael Grätzel
Oct 4, 2008·Journal of the American Chemical Society·William R McNamaraVictor S Batista
Jul 15, 2009·The Journal of Physical Chemistry. a·Elena JakubikovaEnrique R Batista
Aug 4, 2009·Langmuir : the ACS Journal of Surfaces and Colloids·Hai-Long XiaGerald J Meyer
Mar 25, 2010·The Journal of Chemical Physics·Giovanni Scalmani, Michael J Frisch
Aug 31, 2010·Advanced Materials·ChunHung LawBrian C O'Regan
Sep 14, 2010·Chemical Reviews·Anders HagfeldtHenrik Pettersson
Oct 7, 2010·Langmuir : the ACS Journal of Surfaces and Colloids·Pipsa Hirva, Matti Haukka
Nov 16, 2010·Chemical Society Reviews·John N CliffordEmilio Palomares
May 25, 2012·Inorganic Chemistry·David N Bowman, Elena Jakubikova
May 22, 2013·Inorganic Chemistry·Timothy P BrewsterRobert H Crabtree
Jul 11, 2013·Inorganic Chemistry·David N BowmanElena Jakubikova
Nov 20, 2013·Inorganic Chemistry·Isabelle M DixonJean-Louis Heully
Jun 19, 2014·The Journal of Physical Chemistry Letters·Lisa A FredinPetter Persson

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Citations

Oct 23, 2015·Nature Chemistry·Tobias C B HarlangKenneth Wärnmark
Sep 24, 2016·The Journal of Physical Chemistry. a·Judah S HighElena Jakubikova
Mar 15, 2015·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Alexey V Akimov, Oleg V Prezhdo
Mar 25, 2016·ChemSusChem·Lisa A FredinPetter Persson
Nov 10, 2020·The Journal of Physical Chemistry. a·Chang LiuElena Jakubikova
Aug 17, 2017·Journal of Chemical Theory and Computation·Soumen GhoshNiranjan Govind

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