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Exploring the foundations of photoemission tomography

Project

Project Number I 3731
Principal Investigator Peter Puschnig
Address Institute of Physics, Universitaetsplatz 5, 8010 Graz, Austria
Research Institution Karl-Franzens-University Graz
Approval date Approval date (27.11.2017)
Duration Start of project (01.09.2018)  
End of project (31.03.2022)
Scientific field(s) 103 Physics 100%
Keywords Photoemission spectroscopy, Density functional theory, Organic molecules, Organic/inorganic interfaces
Abstract English, German
Final Report Final Report of Austrian Subproject

 

Publications

Peer-reviewed

[1] Hollerer et al., Scanning Tunneling Microscopy of the Ordered Water Monolayer on MgO(001)/Ag(001) Ultrathin Films, J. Phys. Chem. C 123, 3711-3718 (2019)

[2] Egger et al., Can photoemission tomography be useful for small, strongly-interacting adsorbate systems?, New J. Phys. 21, 043003 (2019)

[3] Yang et al., Identifying surface reaction intermediates with photoemission tomography, Nature Communications 10, 3189 (2019)

[4] Yang et al., Coexisting Charge States in a Unary Organic Monolayer Film on a Metal, The Journal of Physical Chemistry Letters 10, 6438-6445 (2019)

[5] Metzger et al., Plane-wave final state for photoemission from nonplanar molecules at a metal-organic interface, Phys. Rev. B 101, 165421 (2020)

[6] Haag et al., Signatures of an atomic crystal in the band structure of a C_60 thin film, Phys. Rev. B 101, 165422 (2020)

[7] Hurdax et al., Controlling the Charge Transfer across Thin Dielectric Interlayers, Advanced Materials Interfaces 7, 2000592 (2020)

[8] Sturmeit et al., Molecular anchoring stabilizes low valence Ni(I)TPP on copper against thermally induced chemical changes, J. Mater. Chem. C 8, 8876-8886 (2020)

[9] Haags et al., Kekulene: On-Surface Synthesis, Orbital Structure, and Aromatic Stabilization, ACS Nano 14, 15766-15775 (2020)

[10] Hurdax et al., Controlling the Charge Transfer across Thin Dielectric Interlayers, Advanced Materials Interfaces 7, 2000592 (2020)

[11] Di Santo et al., Orbital Mapping of Semiconducting Perylenes on Cu(111), J. Chem. Phys. C 125, 24477-24486 (2021)

[12] Cojocariu et al., Insight into intramolecular chemical structure modifications by on-surface reaction using photoemission tomography, Chem. Commun. 57, 3050-3053 (2021)

[13] Boné et al., Demonstrating the Impact of the Adsorbate Orientation on the Charge Transfer at Organic-Metal Interfaces, J. Phys. Chem. C 125, 9129-9137 (2021)

[14] Egger et al., Charge-promoted self-metalation of porphyrins on an oxide surface, Angew. Chem. Int. Ed. 60, 5078-5082 (2021)

[15] Sättele et al., Going beyond Pentacene: Photoemission Tomography of a Heptacene Monolayer on Ag(110), J. Phys. Chem. C 125, 2918-2925 (2021)

[16] Wallauer et al., Tracing orbital images on ultrafast time scales, Science 371, 1056-1059 (2021)

[17] Brandstetter et al., kMap.py: A Python program for simulation and data analysis in photoemission tomography, Comp. Phys. Commun. 263, 10790 (2021)

[18] Stredansky et al., Disproportionation of Nitric Oxide at a Surface-Bound Nickel Porphyrinoid, Angew. Chem. Int. Ed. 61, e202201916 (2022)

[19] Thomas et al., A One-Dimensional High-Order Commensurate Phase of Tilted Molecules, Phys. Chem. Chem. Phys. 24, 9118-9122 (2022)

[20] Sättele et al., Hexacene on Cu(110) and Ag(110): Influence of the Substrate on Molecular Orientation and Interfacial Charge Transfer, J. Phys. Chem. C 126, 5036-5045 (2022)

[21] Haags et al., Momentum-space imaging of σ-orbitals for chemical analysis, Science Advances 8, eabn0819 (2022)

[22] Yang et al., Momentum-selective orbital hybridization, Nature Communications 13, 5148 (2022)

[23] Hurdax et al., Large Distortion of Fused Aromatics on Dielectric Interlayers Quantified by Photoemission Orbital Tomography, ACS Nano 16, 17435 (2022)

[24] Presel et al., Charge and adsorption height dependence of the self-metalation of porphyrins on ultrathin MgO(001) films, Phys. Chem. Chem. Phys. xx, xxx (2022).

[25] Haags et al., Benchmarking theoretical electronic structure methods with photoemission orbital tomography, arXiv 2209.11516 (2022)

Poster presentations

09/2018 Martin Unzog; Larissa Egger; Jana Fuchsberger; Michael Ramsey; Peter Puschnig
Jahrestagung der OePG 2018, Graz, Austria
"The geometric and electronic structure of tetracene/Ag(110) investigated by densityfunctional theory and photoemission experiments"

09/2018 M. Schwendt; P. Puschnig; D. Lüftner; C.Metzger; A. Schöll; M. Grimm; M. Graus; F. Reinert
Jahrestagung der OePG 2018, Graz, Austria
"The electronic structure of a monolayer C60/Ag(110) investigated by density functionalcalculations and photoemission spectroscopy"

09/2018 C. S. Kern; D. Lüftner; C. Udhardt; F. Otto; R. Forker; T. Fritz; P. Puschnig
Jahrestagung der OePG 2018, Graz, Austria
"The Interface of Coronene with the (111)-Surfaces of the Coinage Metals: Geometry and Electronic Structure"

10/2018 Hurdax, Philipp; Hollerer, Michael; Lüftner, Daniel; Ules, Thomas; Soubatch, Sergei; Tautz, Stefan F.; Koller, Georg; Puschnig, Peter; Sterrer, Martin; Ramsey, Michael G.
9th Workshop on Advanced Spectroscopy of Organic Materials for Electronic Applications (ASOMEA-IX), Schluchsee, Germany
"Charge Transfer and Molecular Level Alignment on Dielectric Interlayers on Metals"

10/2018 C. Metzger, M. Graus, M. Grimm, K. Baumgärtner, G. Zamborlini, V. Feyer, M. Schwendt, D. Lüftner, P. Puschnig, A. Schöll, F. Reinert
9th Workshop on Advanced Spectroscopy of Organic Materials for Electronic Applications (ASOMEA-IX), Schluchsee, Germany
"Orbital imaging of the non-planar molecules"

10/2018 M. Schwendt, P. Puschnig, D. Lüftner, T. Miletic, D. Bonifazi, G. Di Santo
9th Workshop on Advanced Spectroscopy of Organic Materials for Electronic Applications (ASOMEA-IX), Schluchsee, Germany
"Photoemission Tomography for BPPP on Cu(111)"

10/2018 X. Yang, D. Lüftner, S. Weiß, P. Hurdax, L. Egger, A. Gottwald, M. Richter, G. Koller, M. G. Ramsey, P. Puschnig, S. Soubatch, F. S. Tautz
14th International Conference on Electronic Spectroscopy and Structure (ICESS-14), Shanghai, China
"Identifying molecular orbitals and on-surface reaction products with photoemission tomography"

Talks at Conferences and Seminars

09/2018 Larissa Egger
Jahrestagung der OePG, 12.9.2018, Graz, Austria.
"Metalation of OrganicMolecules: Tetraphenylporphyrin on thin films MgO(001)/Ag(001)."

09/2018 Bernd Kollmann
Jahrestagung der OePG, 12.9.2018, Graz, Austria.
"Photoemission Tomography of NiTPP on Cu(100)."

09/2018 Michael Hollerer
10th Brasilian German Workshop, Bad Dürkheim. 27.09.2018.
"Adsorption of Tetraphenylporphyrinon MgO(001) thin films: A combined spectroscopy and microscopy study."

11/2018 Peter Puschnig
Solid State Physics Seminar, University Zuerich, November 21st, 2018.
"Organic-metal interfaces investigated by photoemission tomography."

01/2019 Peter Puschnig
Physics Seminar, University Salzburg, January 23rd, 2019.
"Organic-metal interfaces investigated by photoemission tomography."

05/2019 Peter Puschnig
Physics Seminar, TU Dortmund, May 14th, 2019.
"Organic-metal interfaces investigated by photoemission tomography."

08/2019 Christian Kern
Joint Annual Meeting of the OePG/SFG, Zuerich, August 28th 2019.
"Charge Transfer at Metal-Organic Interfaces Promoted by Dielectric Interlayers: a Comparison of Different Organic Molecular Monolayers on the MgO/Ag(100)-Surface."

12/2019 Georg Koller
Graz. 18.11.2019.
"Jenseits von nano: Visualisierung von Molekülen und ihrer Orbitale.."

12/2019 M. G. Ramsey
Berlin. 03.12.2019.
"Photoemission tomography: a quantitative tool for investigating molecular films."

01/2020 Hollerer, Michael; Egger, Larissa; Herrmann, Hannes; Puschnig, Peter; Koller, Georg; Ramsey, Michael G.; Sterrer, Martin
Lake Placid. 07.01.2020.
"Adsorption of tetraphenylporphyrin (2H-TPP)on MgO(001) thin films: A combined spectroscopy and microscopy study."

03/2020 Hurdax, Philipp; Hollerer, Michael; Lüftner, Daniel; Puschnig, Peter; Ramsey, Michael G.; Sterrer, Martin
St. Christoph am Arlberg. 05.03.2020.
"Control of charge transfer into organic molecules on ultrathin MgO(001) films."

Scientists/Scholars

Name Expertise Place Role
Larissa Egger Surface Science KFU Graz PhD student
Alexander Gottwald Metrology / Synchrotron Radiation PTB Berlin permanent staff
Anja Haags Expermimental Surface Science FZ Jülich PhD student
Philipp Hurdax Surface Science KFU Graz PhD student
Christian Kern Electronic Structure Theory KFU Graz PhD student
Hans Kirschner Snchrotron Radiation / Expermimental Surface Science PTB Berlin PhD student
Georg Koller Surface Science KFU Graz permanent staff
Francois Posseik Surface Science FZ Jülich PostDoc (PI)
Peter Puschnig Electronic Structure Theory KFU Graz permanent staff (PI)
Michael Ramsey Surface Science KFU Graz permanent staff
Mathias Richter Metrology / Synchrotron Radiation PTB Berlin permanent staff (PI)
Mathias Schwendt Electronic Structure Theory KFU Graz PhD student
Serguei Soubatch Surface Science FZ Jülich permanent staff
F. Stefan Tautz Surface Science FZ Jülich permanent staff
Xiaosheng Yang Surface Science FZ Jülich PhD student

Former Members

Name Expertise Place Role Until
Bernd Kollmann Electronic Structure Theory KFU Graz PhD student December 2018
Daniel Lüftner Electronic Structure Theory KFU Graz PostDoc September 2018

 

Further Activities

Project Meetings

What When Where Who
Kick-off meeting: schedule June 6th-8th 2018 KFU Graz see here
Project meeting: schedule February 13th-15th 2019 FZ Juelich see here
Project meeting: schedule February 18th-21st 2020 PTB Berlin see here
WE-Heraeus-Seminar: web page December 107-09 2020 Bad Honnef invited speakers

Research Visits / Synchrotron Beamtimes

Where When Who
MLS-beamtime June 25th- July 6th 2018 Egger, Gottwald, Hurdax, Koller, Ramsey, Soubatch, Yang
MLS-beamtime September 17th-28th 2018 Egger, Gottwald, Hurdax, Koller, Ramsey, Soubatch, Yang

 

Univ.-Prof. Dipl.-Ing. Dr.

Peter Puschnig

Institut für Physik
Phone:+43 316 380 - 5230


Fr 11:00 - 12:00 und nach Vereinbarung (e-mail)

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