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Potassium-intercalated H2Pc films: Alkali-induced electronic and geometrical modifications

Nilson, K.; Ahlund, J.; Shariati, M. -N.; Schiessling, Joachim LU ; Palmgren, P.; Brena, B.; Gothelid, E.; Hennies, Franz LU ; Huismans, Y. and Evangelista, F., et al. (2012) In Journal of Chemical Physics 137(4).
Abstract
X-ray spectroscopy studies of potassium intercalated metal-free phthalocyanine multilayers adsorbed on Al(110) have been undertaken. Photoelectron spectroscopy measurements show the presence of several charge states of the molecules upon K intercalation, due to a charge transfer from the alkali. In addition, the comparison of valence band photoemission spectra with the density functional theory calculations of the density of states of the H2Pc- anion indicates a filling of the formerly lowest unoccupied molecular orbital by charge transfer from the alkali. This is further confirmed by x-ray absorption spectroscopy (XAS) studies, which show a decreased density of unoccupied states. XAS measurements in different experimental geometries... (More)
X-ray spectroscopy studies of potassium intercalated metal-free phthalocyanine multilayers adsorbed on Al(110) have been undertaken. Photoelectron spectroscopy measurements show the presence of several charge states of the molecules upon K intercalation, due to a charge transfer from the alkali. In addition, the comparison of valence band photoemission spectra with the density functional theory calculations of the density of states of the H2Pc- anion indicates a filling of the formerly lowest unoccupied molecular orbital by charge transfer from the alkali. This is further confirmed by x-ray absorption spectroscopy (XAS) studies, which show a decreased density of unoccupied states. XAS measurements in different experimental geometries reveal that the molecules in the pristine film are standing upright on the surface or are only slightly tilted away from the surface normal but upon K intercalation, the molecular orientation is changed in that the tilt angle of the molecules increases. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4738755] (Less)
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Journal of Chemical Physics
volume
137
issue
4
publisher
American Institute of Physics
external identifiers
  • wos:000307611500056
  • scopus:84893840212
ISSN
0021-9606
DOI
10.1063/1.4738755
language
English
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yes
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4142ec5f-ae19-4975-9a7b-90a237fa59d5 (old id 3059833)
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2012-09-26 11:30:12
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2017-10-01 03:22:12
@article{4142ec5f-ae19-4975-9a7b-90a237fa59d5,
  abstract     = {X-ray spectroscopy studies of potassium intercalated metal-free phthalocyanine multilayers adsorbed on Al(110) have been undertaken. Photoelectron spectroscopy measurements show the presence of several charge states of the molecules upon K intercalation, due to a charge transfer from the alkali. In addition, the comparison of valence band photoemission spectra with the density functional theory calculations of the density of states of the H2Pc- anion indicates a filling of the formerly lowest unoccupied molecular orbital by charge transfer from the alkali. This is further confirmed by x-ray absorption spectroscopy (XAS) studies, which show a decreased density of unoccupied states. XAS measurements in different experimental geometries reveal that the molecules in the pristine film are standing upright on the surface or are only slightly tilted away from the surface normal but upon K intercalation, the molecular orientation is changed in that the tilt angle of the molecules increases. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4738755]},
  author       = {Nilson, K. and Ahlund, J. and Shariati, M. -N. and Schiessling, Joachim and Palmgren, P. and Brena, B. and Gothelid, E. and Hennies, Franz and Huismans, Y. and Evangelista, F. and Rudolf, P. and Gothelid, M. and Mårtensson, Nils and Puglia, C.},
  issn         = {0021-9606},
  language     = {eng},
  number       = {4},
  publisher    = {American Institute of Physics},
  series       = {Journal of Chemical Physics},
  title        = {Potassium-intercalated H2Pc films: Alkali-induced electronic and geometrical modifications},
  url          = {http://dx.doi.org/10.1063/1.4738755},
  volume       = {137},
  year         = {2012},
}