Electronic Structure of Titanylphthalocyanine Layers on Ag(111)
Lerch, A. (Philipps-Universität Marburg)
Fernández, L. (TU Dresden)
Ilyn, M. (Donostia International Physics Center)
Gastaldo, Michele (Institut Català de Nanociència i Nanotecnologia)
Paradinas Aranjuelo, Marcos (Institut Català de Nanociència i Nanotecnologia)
Valbuena, Miguel Ángel (Institut Català de Nanociència i Nanotecnologia)
Mugarza, Aitor (Institut Català de Nanociència i Nanotecnologia)
Ibrahim, A. B. M. (Philipps-Universität Marburg)
Sundermeyer, J. (Philipps-Universität Marburg)
Höfer, U. (Philipps-Universität Marburg)
Schiller, Frederik (Centro de Física de Materiales CSIC)

Data:	2017
Resum:	We have investigated the electronic structures of axially oxo functionalized titanylphthalocyanine (TiOPc) on Ag(111) by X-ray and ultraviolet photoelectron spectroscopies, two-photon photoemission, X-ray absorption spectroscopy, and X-ray magnetic circular dichroism. Furthermore, we use complementary data of TiOPc on graphite and planar copper phthalocyanine (CuPc) on Ag(111) for a comparative analysis. Both molecules adsorb on Ag(111) in a parallel orientation to the surface, for TiOPc with an oxygen-up configuration. The interaction of nitrogen and carbon atoms with the substrate is similar for both molecules, while the bonding of the titanium atom to Ag(111) in the monolayer is found to be slightly more pronounced than in the CuPc case. Ultraviolet photoemission spectroscopy reveals an occupation of the lowest unoccupied molecular orbital (LUMO) level in monolayer thick TiOPc on Ag(111) related to the interaction of the molecules and the silver substrate. This molecule-metal interaction also causes an upward shift of the Ag(111) Shockley state that is transformed into an unoccupied interface state with energies of 0. 23 and 0. 33 eV for the TiOPc monolayer and bilayer, respectively, at the Brillouin zone center.
Ajuts:	Ministerio de Economía y Competitividad SEV-2013-0295 Ministerio de Economía y Competitividad PTA2014-09788-I Agència de Gestió d'Ajuts Universitaris i de Recerca 2014/SGR-715 Ministerio de Economía y Competitividad MAT2016-78293-C6-2-R
Drets:	Tots els drets reservats.
Llengua:	Anglès
Document:	Article ; recerca ; Versió acceptada per publicar
Matèria:	Comparative analysis ; Copper phthalocyanine ; Lowest unoccupied molecular orbital ; Metal interactions ; Parallel orientation ; Two-photon photoemission ; Ultraviolet photoemission spectroscopy ; X-ray magnetic circular dichroism
Publicat a:	Journal of physical chemistry. C, Vol. 121, Issue 45 (November 2017) , p. 25353-25363, ISSN 1932-7455

DOI: 10.1021/acs.jpcc.7b09147

Postprint 32 p, 1.5 MB

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