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Hybridization of Organic Molecular Orbitals with Substrate States at Interfaces: PTCDA on Silver
J. Ziroff, F. Forster, A. Schöll, P. Puschnig, and F. Reinert
Phys. Rev. Lett. 104(23), 233004 (2010)
doi.org/10.1103/physrevlett.104.233004
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Orbital Density Reconstruction for Molecules
M. Dauth, T. Körzdörfer, S. Kümmel, J. Ziroff, M. Wiessner, A. Schöll, F. Reinert, M. Arita, and K. Shimada
Phys. Rev. Lett. 107(19), 193002 (2011)
doi.org/10.1103/physrevlett.107.193002
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Orbital tomography: Deconvoluting photoemission spectra of organic molecules
P. Puschnig, E. M. Reinisch, T. Ules, G. Koller, S. Soubatch, M. Ostler, L. Romaner, F. S. Tautz, C. A. Draxl, and M. G. Ramsey
Phys. Rev. B 84, 235427 (2011)
doi.org/10.1103/physrevb.84.235427
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Electronic and geometric structure of the PTCDA/Ag(110) interface probed by angle-resolved photoemission
M. Wießner, D. Hauschild, A. Schöll, F. Reinert, V. Feyer, K. Winkler, and B. Krömker
Phys. Rev. B 86(4), 045417 (2012)
doi.org/10.1103/physrevb.86.045417
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Orbital tomography for highly symmetric adsorbate systems
B. Stadtmüller, M. Willenbockel, E. Reinisch, T. Ules, M. Ostler, F. Bocquet, S. Soubatch, P. Puschnig, G. Koller, M. G. Ramsey, F. S. Tautz, and C. Kumpf
European Physics Letters 100, 26008 (2012)
doi.org/10.1209/0295-5075/100/26008
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Energy offsets within a molecular monolayer: The influence of the molecular environment
M. Willenbockel, B. Stadtmüller, K. Schönauer, F. Bocquet, D. Lüftner, E. M. Reinisch, T. Ules, G. Koller, C. Kumpf, S. Soubatch, P. Puschnig, M. G. Ramsey, and F. S. Tautz
New J. Phys. 15, 033017 (2013)
doi.org/10.1088/1367-2630/15/3/033017
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Substrate-mediated band-dispersion of electronic states in adsorbed molecules
M. Wießner, J. Ziroff, F. Forster, M. Arita, K. Shimada, P. Puschnig, A. Schöll, and F. Reinert
Nature Communications 4, 1514 (2013)
doi.org/10.1038/ncomms2522
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Angle resolved photoemission from organic semiconductors: orbital imaging beyond the molecular orbital interpretation
M. Dauth, M. Wiessner, V. Feyer, A. Schöll, P. Puschnig, F. Reinert, and S. Kümmel
New J. Phys. 16, 103005 (2014)
doi.org/10.1088/1367-2630/16/10/103005
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Complete determination of molecular orbitals by measurement of phase symmetry and electron density
M. Wießner, D. Hauschild, C. Sauer, V. Feyer, A. Scholl, and F. Reinert
Nature Communications 5, 4156 (2014)
doi.org/10.1038/ncomms5156
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Imaging the wave functions of adsorbed molecules
D. Lüftner, T. Ules, E. M. Reinisch, G. Koller, S. Soubatch, F. S. Tautz, M. G. Ramsey, and P. Puschnig
Proc. Nat. Acad. Sci. U. S. A. 111(2), 605 (2014)
doi.org/10.1073/pnas.1315716110
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Unexpected interplay of bonding height and energy level alignment at heteromolecular hybrid interfaces
B. Stadtmüller, D. Lüftner, M. Willenbockel, E. M. Reinisch, T. Sueyoshi, G. Koller, S. Soubatch, M. G. Ramsey, P. Puschnig, F. S. Tautz, and C. Kumpf
Nature Communications 5, 3685 (2014)
doi.org/10.1038/ncomms4685
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Exploring three-dimensional orbital imaging with energy-dependent photoemission tomography
S. Weiß, D. Lüftner, T. Ules, E. M. Reinisch, H. Kaser, A. Gottwald, M. Richter, S. Soubatch, G. Koller, M. G. Ramsey, F. S. Tautz, and P. Puschnig
Nature Communications 6, 8287 (2015)
doi.org/10.1038/ncomms9287
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Heteromolecular metal-organic interfaces: Electronic and structural fingerprints of chemical bonding
B. Stadtmüller, S. Schröder, and C. Kumpf
Journal of Electron Spectroscopy and Related Phenomena 204A, 80 (2015)
doi.org/10.1016/j.elspec.2015.03.003
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Modification of the PTCDA-Ag bond by forming a heteromolecular bilayer film
B. Stadtmüller, M. Willenbockel, S. Schröder, C. Kleimann, E. M. Reinisch, T. Ules, S. Soubatch, M. G. Ramsey, F. S. Tautz, and C. Kumpf
Phys. Rev. B 91(15), 155433 (2015)
doi.org/10.1103/physrevb.91.155433
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The interplay between interface structure, energy level alignment and chemical bonding strength at organic-metal interfaces
M. Willenbockel, D. Lüftner, B. Stadtmüller, G. Koller, C. Kumpf, P. Puschnig, S. Soubatch, M. G. Ramsey, and F. S. Tautz
Phys. Chem. Chem. Phys. 17, 1530 (2015)
doi.org/10.1039/c4cp04595e
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Elektronenorbitale in 3D - Photoelektronen-tomographische Bilder von Molekülorbitalen
G. Koller, P. Puschnig, A. Gottwald, and F. S. Tautz
Physik in unserer Zeit 4, 192 (2016)
doi.org/10.1002/piuz.201601442
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Perpendicular Emission, Dichroism, and Energy Dependence in Angle-Resolved Photoemission: The Importance of The Final State
M. Dauth, M. Graus, I. Schelter, M. Wießner, A. Schöll, F. Reinert, and S. Kümmel
Phys. Rev. Lett. 117(18), 183001 (2016)
doi.org/10.1103/physrevlett.117.183001
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Efficient and accurate modeling of electron photoemission in nanostructures with TDDFT
P. Wopperer, U. De Giovannini, and A. Rubio
The European Physical Journal B 90(3), 51 (2017)
doi.org/10.1140/epjb/e2017-70548-3
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Energy ordering of molecular orbitals
P. Puschnig, A. D. Boese, M. Willenbockel, M. Meyer, D. Lüftner, E. M. Reinisch, T. Ules, G. Koller, S. Soubatch, M. G. Ramsey, and F. S. Tautz
J. Phys. Chem. Lett. 8, 208 (2017)
doi.org/10.1021/acs.jpclett.6b02517
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Understanding the photoemission distribution of strongly interacting two-dimensional overlayers
D. Lüftner, S. Weiß, X. Yang, P. Hurdax, V. Feyer, A. Gottwald, G. Koller, S. Soubatch, P. Puschnig, M. G. Ramsey, and F. S. S. Tautz
Phys. Rev. B 96, 125402 (2017)
doi.org/10.1103/physrevb.96.125402
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On the decoupling of molecules at metal surfaces
X. Yang, S. W. I. Krieger, T. Heepenstrick, M. Hollerer, P. Hurdax, D. Lüftner, P. Puschnig, G. Koller, M. G. Ramsey, M. Sokolowski, F. S. Tautz, and S. Soubatch
Chem. Commun. 54, 9039 (2018)
doi.org/10.1039/c8cc03334j
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Photoemission Tomography: Valence Band Photoemission as a Quantitative Method for Investigating Molecular Films
P. Puschnig and M. Ramsey
Encyclopedia of Interfacial Chemistry, 380 (2018)
doi.org/10.1016/b978-0-12-409547-2.13782-5
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Three-dimensional tomographic imaging of molecular orbitals by photoelectron momentum microscopy
M. Graus, C. Metzger, M. Grimm, P. Nigge, V. Feyer, A. Schöll, and F. Reinert
Eur. Phys. J. B 92, 80 (2019)
doi.org/10.1140/epjb/e2019-100015-x
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Efficient orbital imaging based on ultrafast momentum microscopy and sparsity-driven phase retrieval
M. Jansen, M. Keunecke, M. Düvel, C. Möller, D. Schmitt, W. Bennecke, J. Kappert, D. Steil, D. R. Luke, S. Steil, and S. Mathias
New Journal of Physics 22, 063012 (2020)
doi.org/10.1088/1367-2630/ab8aae
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Tracing orbital images on ultrafast time scales
R. Wallauer, M. Raths, K. Stallberg, L. Münster, D. Brandstetter, X. Yang, J. Güdde, P. Puschnig, S. Soubatch, C. Kumpf, F. C. Bocquet, F. S. Tautz, and U. Höfer
Science 371, 1056 (2021)
doi.org/10.1126/science.abf3286
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kMap.py: A Python program for simulation and data analysis in photoemission tomography
D. Brandstetter, X. Yang, D. Lüftner, F. S. Tautz, and P. Puschnig
Comp. Phys. Commun. 263, 107905 (2021)
doi.org/10.1016/j.cpc.2021.107905
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Large Distortion of Fused Aromatics on Dielectric Interlayers Quantified by Photoemission Orbital Tomography
P. Hurdax, C. S. Kern, T. Boné, A. Haags, L. Egger, X. Yang, H. Kirschner, M. Richter, S. Soubatch, G. Koller, F. S. Tautz, M. Sterrer, P. Puschnig, and M. Ramsey
ACS Nano 16, 17435 (2022)
doi.org/10.1021/acsnano.2c08631
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Photoemission orbital tomography for excitons in organic molecules
C. S. Kern, A. Windischbacher, and P. Puschnig
Phys. Rev. B 108(8), 085132 (2023)
doi.org/10.1103/physrevb.108.085132
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Hybrid Frenkel-Wannier excitons facilitate ultrafast energy transfer at a 2D-organic interface
W. Bennecke, I. Gonzalez Oliva, J. P. Bange, P. Werner, D. Schmitt, M. Merboldt, A. M. Seiler, K. Watanabe, T. Taniguchi, D. Steil, R. T. Weitz, P. Puschnig, C. Draxl, G. S. M. Jansen, M. Reutzel, and S. Mathias
Nature Physics (2025)
doi.org/10.1038/s41567-025-03075-5
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Integer charge transfer model - PTCDA on MgO(001)/Ag(001) probing the transition from single to double integer charge transfer
P. Hurdax, M. Hollerer, C. S. Kern, P. Puschnig, M. Sterrer, and M. G. Ramsey.
The Journal of Physical Chemistry C 129, 1553 (2025)
doi.org/10.1021/acs.jpcc.4c08104