In Situ Mapping of the Molecular Arrangement of Amphiphilic Dye Molecules at the TiO₂ Surface of Dye-Sensitized Solar Cells

Abstract

Citation for published item:o¤ %t hovskyD uF nd esh ri est niD xF nd vernelliD sF nd etre ultD xF nd othlis ergerD F nd tell iD pF nd qr¤ tzelD wF nd erne r rmsD rF @PHISA 9snEsitu m pping of the mole ul r rr ngement of mphiphili dye mole ules t the iyP surf e of dye sensitized sol r ellsF9D eg pplied m teri ls interf esFD U @PHAF ppF IHVQREIHVRPF Further information on publisher's website: httpXGGdxFdoiForgGIHFIHPIG s miFS HITQV Publisher's copyright statement: This document is the Accepted Manuscript version of a Published Work that appeared in nal form in ACS applied materials interfaces, copyright c 2015 American Chemical Society after peer review and technical editing by the publisher. To access the nal edited and published work see http://dx.doi.org/10.1021/acsami.5b01638. Additional information:Use policyThe full-text may be used and/or reproduced, and given to third parties in any format or medium, without prior permission or charge, for personal research or study, educational, or not-for-pro t purposes provided that:• a full bibliographic reference is made to the original source • a link is made to the metadata record in DRO • the full-text is not changed in any way The full-text must not be sold in any format or medium without the formal permission of the copyright holders.Please consult the full DRO policy for further details. Just Accepted "Just Accepted" manuscripts have been peer-reviewed and accepted for publication. They are posted online prior to technical editing, formatting for publication and author proofing. The American Chemical Society provides "Just Accepted" as a free service to the research community to expedite the dissemination of scientific material as soon as possible after acceptance. "Just Accepted" manuscripts appear in full in PDF format accompanied by an HTML abstract. "Just Accepted" manuscripts have been fully peer reviewed, but should not be considered the official version of record. They are accessible to all readers and citable by the Digital Object Identifier (DOI®). "Just Accepted" is an optional service offered to authors. Therefore, the "Just Accepted" Web site may not include all articles that will be published in the journal. After a manuscript is technically edited and formatted, it will be removed from the "Just Accepted" Web site and published as an ASAP article. Note that technical editing may introduce minor changes to the manuscript text and/or graphics which could affect content, and all legal disclaimers and ethical guidelines that apply to the journal pertain. ACS cannot be held responsible for errors or consequences arising from the use of information contained in these "Just Accepted" manuscripts. 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59

Dye⋯TiO2 interfacial structure of dye-sensitised solar cell working electrodes buried under a solution of I−/I3− redox electrolyte

“…Such studies have generally been limited to ex situ methods, 24 wherein average dye orientations on exposed TiO2 surfaces have been deduced via X-ray reflectometry [25][26] or near-edge X-ray absorption spectroscopy (NEXAFS). 27,28 A few pseudo in situ infra-red spectroscopy 29 or atomic force microscopy 30 while a similarly pseudo in situ NEXAFS 31 study draws qualitative conclusions about dye orientation in solvents with the aid of corroboratory findings from photoelectron spectroscopy.…”

In-situ evaluation of dye adsorption on TiO2using QCM

“…This can be explained by the dye structure and the existence of alkyl chain. For the Z907 dye, it was shown by Harms and co-workers, that an alkyl chain increase order within the monolayer [28]. Moreover, the interaction of dyes in the monolayer which could be affected by their structure influence on the equilibrium constant [29].…”

Charge separation and carrier dynamics in donor-acceptor heterojunction photovoltaic systems

“…Such an umbrella strategy, i.e., the shielding of the dye monolayer by hydrophobic chains, was also successfully applied to Ru(II) complexes to design thiocyanate-free cyclometalated tris-heteroleptic complexes containing C 12 alkoxy chains on the cyclometalated ligand that can be used in combinations with cobalt electrolytes 17 . The umbrella effect in Ru(II) complexes was further investigated by in situ mapping of the sensitizer on a TiO 2 surface using atomic force microscopy (AFM) measurements and molecular dynamics simulations 18 . The latter were used to determine the energetically most favorable packing arrangements of the dyes on the TiO 2 surface and predicted a coverage-dependent phase transition in agreement with the AFM measurements.…”