Please use this identifier to cite or link to this item: https://doi.org/10.1021/jp2083924
Title: Electronic structure, chemical interactions and molecular orientations of 3,4,9,10-perylene-tetracarboxylic-dianhydride on TiO 2(110)
Authors: Cao, L.
Wang, Y.
Zhong, J.
Han, Y.
Zhang, W.
Yu, X. 
Xu, F.
Qi, D.-C. 
Wee, A.T.S. 
Issue Date: 22-Dec-2011
Citation: Cao, 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
Abstract: The 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.
Source Title: Journal of Physical Chemistry C
URI: http://scholarbank.nus.edu.sg/handle/10635/113013
ISSN: 19327447
DOI: 10.1021/jp2083924
Appears in Collections:Staff Publications

Show full item record
Files in This Item:
There are no files associated with this item.

SCOPUSTM   
Citations

39
checked on Dec 10, 2019

WEB OF SCIENCETM
Citations

39
checked on Dec 10, 2019

Page view(s)

83
checked on Dec 13, 2019

Google ScholarTM

Check

Altmetric


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.