Please use this identifier to cite or link to this item: https://doi.org/10.1021/jp2083924
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dc.titleElectronic structure, chemical interactions and molecular orientations of 3,4,9,10-perylene-tetracarboxylic-dianhydride on TiO 2(110)
dc.contributor.authorCao, L.
dc.contributor.authorWang, Y.
dc.contributor.authorZhong, J.
dc.contributor.authorHan, Y.
dc.contributor.authorZhang, W.
dc.contributor.authorYu, X.
dc.contributor.authorXu, F.
dc.contributor.authorQi, D.-C.
dc.contributor.authorWee, A.T.S.
dc.date.accessioned2014-11-28T08:43:14Z
dc.date.available2014-11-28T08:43:14Z
dc.date.issued2011-12-22
dc.identifier.citationCao, L., Wang, Y., Zhong, J., Han, Y., Zhang, W., Yu, X., Xu, F., Qi, D.-C., Wee, A.T.S. (2011-12-22). Electronic structure, chemical interactions and molecular orientations of 3,4,9,10-perylene-tetracarboxylic-dianhydride on TiO 2(110). Journal of Physical Chemistry C 115 (50) : 24880-24887. ScholarBank@NUS Repository. https://doi.org/10.1021/jp2083924
dc.identifier.issn19327447
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/113013
dc.description.abstractThe electronic structure, molecular orientations, and interfacial energy level alignment of 3,4,9,10-perylene-tetracarboxylic-dianhydride (PTCDA) molecules on rutile TiO 2-(110) 1 × 1 surface have been investigated using synchrotron-based photoemission spectroscopy (PES) and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy. The evolution of PES spectra as a function of PTCDA coverage is interpreted as possible chemical reactions that strongly couple the TiO 2 surface Ti and O atoms with PTCDA molecules. The emergence of an interfacial gap state observed at the lower binding energy side of the highest occupied molecular orbital (HOMO) of PTCDA corroborates the strong electronic coupling between PTCDA molecules and TiO 2 substrate. In addition, the molecular orientation of PTCDA is found to vary with coverage due to the strong interfacial interactions. It adopts a slightly tilting, disordered, and nearly lying-down geometry in the submonolayer, monolayer, and multilayer regimes, respectively. The strong electronic coupling and the relative energy alignment at the PTCDA/TiO 2 interface could facilitate the interfacial charge delocalization, which is desirable for making PTCDA-based dye-sensitized solar cell (DSSC) devices. © 2011 American Chemical Society.
dc.description.urihttp://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1021/jp2083924
dc.sourceScopus
dc.typeArticle
dc.contributor.departmentPHYSICS
dc.contributor.departmentSINGAPORE SYNCHROTRON LIGHT SOURCE
dc.description.doi10.1021/jp2083924
dc.description.sourcetitleJournal of Physical Chemistry C
dc.description.volume115
dc.description.issue50
dc.description.page24880-24887
dc.identifier.isiut000297947700055
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