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Quantifying photoemission of organic molecular films

Project

Project Number P27649-N20
Principal Investigator Peter Puschnig
Address Institute of Physics, Universitaetsplatz 5, 8010 Graz, Austria
Research Institution Karl-Franzens-University Graz
Approval date Approval date (02.12.2014)
Duration Start of project (01.02.2015)  
End of project (31.01.2018)
Scientific field(s) 1222, Theoretical Physics, 50%
1238, Surface Physics, 25%
1229, Semiconductor Physics, 25%
Keywords Density functional theory, Organic molecules, Photoemission spectroscopy
Abstract English, German
Final Report English

 

Scientists/Scholars

Name Position Employment Link
Daniel Lüftner PhD student / PostDoc until 04/2015 from 05/2015
Bernd Kollmann PhD student 02/2015 -  
Peter Puschnig Principal Investigator permanent (Assoc. Prof.) web

 

Cooperations

Who Where What
M.G. Ramsey, G. Koller Institute of Physics, University of Graz, Austria Angle-resolved photoemission experiments of organic molecular films: pentacene, sexiphenyl on Cu(110), Ag(110), Al(110)
F.S. Tautz Institute of Functional Nanostructures at Surfaces (IBN3) Forschungszentrum Jülich, Germany Scanning probe experiments and angle-resolved photoemission experiments of organic molecular films: PTCDA, Phthalocyanineson Ag and Au surfaces
Leeor Kronik Faculty of Chemistry, Weizmann Institute of Science, Rehovot, Isreael Range-separated hybrid functionals: strategies for optimally tuning the parameters based on physical constraints

 

Project Publications

Peer-reviewed

[1] Puschnig et al., Simulation of angle-resolved photoemission spectra byapproximating the final state by a plane wave: from graphene topolycyclic aromatic hydrocarbon molecules, invited paper: J. Elec. Spectr. Rel. Phen. 200, 193-208 (2015)

[2] Offenbacher et al., Orbital tomography: molecular band maps, momentum maps and the imaging of real space orbitals of adsorbed molecules, invited paper: J. Elec. Spectr. Rel. Phen. 200A, 92-101 (2015)

[3] Weiss et al., Exploring three-dimensional orbital imaging with energy dependent photoemission tomography, Nature Communications 6, 8287 (2015)

[4] Reinisch et al., Layer-resolved photoemission tomography: The p-sexiphenyl bilayer upon Cs doping, Phys. Rev. B 93, 155438 (2016)

[5] Knebl et al., Gap plasmonics of silver nanocube dimers, Phys. Rev. B 93, 081405(R) (2016)

[6] Koller et al., Elektronenorbitale in 3D - Photoelektronen-tomographische Bilder von Molekülorbitalen, Physik in unserer Zeit 47, 192-198 (2016)

[7] Ules et al., Continuous or discrete: Tuning the energy level alignment of organic layers with alkali dopants, Phys. Rev. B 94, 205405 (2016)

[8] Gall et al., Spectroscopic STM studies of single pentacene molecules on Cu(110)_c(6x2)O, Phys. Rev. B 94, 195441 (2016)

[9] Schoenauer et al., Charge transfer and symmetry reduction at the CuPc/Ag(110) interface studied by photoemission tomography, Phys. Rev. B 94, 205144 (2016)

[10] Matkovic et al., Epitaxy of highly ordered organic semiconductor crystallite networks supported by hexagonal boron nitride, Scientific Reports 6, 38519 (2016)

[11] Puschnig et al., Energy Ordering of Molecular Orbitals, J. Phys. Chem. Lett. 8, 208-213 (2017)

[12] Udhardt et al., Influence of Film and Substrate Structure on Photoelectron Momentum Maps of Coronene Thin Films on Ag(111), J. Phys. Chem. C 121, 12285-12293 (2017)

[13] Hollerer et al., Charge Transfer and Orbital Level Alignment at Inorganic/Organic Interfaces: The Role of Dielectric Interlayers, ACS Nano 11, 6252-6260 (2017)

[14] Dengg et al., Thermal expansion coefficient of WRe alloys from first principles, Phys. Rev. B 96, 035148 (2017)

[15] Zamborlini et al., Multi-orbital charge transfer at highly oriented organic/metal interfaces, Nature Communications 8, 335 (2017)

[16] Lueftner et al., Understanding the photoemission distribution of strongly interacting two-dimensional overlayers, Phys. Rev. B 96, 125402 (2017)

[17] Graus et al., Degeneracy Lifting of Adsorbate Orbitals Imaged by High-Resolution Momentum Microscopy, Journal of the Physical Society of Japan 87, 061009 (2018)

[18] Kollmann et al., Synthesis and combined experimental and theoretical characterization of dihydro-tetraaza-acenes, J. Phys. Chem. C 122, 6475-6482 (2018)

[19] Yang et al., On the Decoupling of Molecules at Metal Surfaces, Chem. Comm. 54, 9039-9042 (2018)

[20] Zamborlini et al., On-surface nickel porphyrin mimics reactive center of enzyme cofactor, Chem. Commun. 54, 13423 (2018)

[21] Hollerer et al., Growth study of para-sexiphenyl on Ag(001): From single molecule to crystalline film, Surface Science 678, 149-156 (2018)

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

Book chapters

[1] Peter Puschnig and Michael G. Ramsey
Photoemission Tomography: Valence Band Photoemission as a Quantitative Method for Investigating Molecular Films in: Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, Elsevier (2017)

Poster presentations

09/2015 Bernd Kollmann
Workshop on organic electronics, Como, Italy, September 14th - 19th, 2015.
"Angle-resolved photoemission spectroscopy (ARPES) simulations of benzene on Pd(110)."

09/2015 Daniel Lueftner
Psi-k Meeting, San Sebastian., September 5th - 10th. 2015.
"Experimental and electronic structure of quinacridone."

09/2015 Bernd Kollmann
Jahrestagung der OePG 2015, September 1st-4th, 2015, Wien.
"Angle-resolved photoemission spectroscopy (ARPES) simulations of benzene on Pd(110)."

02/2016 Lüftner, Daniel; Thomas, Ules; Georg, Koller; Michael, Ramsey; Peter, Puschnig
ACRITAS workshop, Graz February 2016
"Imaging the wave functions of adsorbed molecules"

03/2016 Lüftner, Daniel; Thomas, Ules; Georg, Koller; Michael, Ramsey; Peter, Puschnig
PLESI 2016 (Prospects and Limitations of Electronic Structure Imaging by Angle Resolved Photoemission Spectroscopy), Dresden, April 25th - 27th, 2016.
"Imaging the wave functions of adsorbed molecules"

03/2017 Jana Fuchsberger, Daniel Lüftner, Xiaosheng Yang, Georg Koller, Michael Ramsey, Vitaliy Feyer, Serguei Soubatch, Stefan Tautz, and Peter Puschnig
DPG Jahrestagung, Dresden, March, 2017.
"The geometric and electronic properties of the tetracene/Ag(110) interface studied by density functional theory"

03/2017 Christian Kern, Daniel Lüftner, Christian Udhardt, Felix Otto, Roman Forker, Torsten Fritz, and Peter Puschnig
DPG Jahrestagung, Dresden, March, 2017.
"Electronic Properties of Coronene on (111)-Surfaces of the Coinage Metals"

03/2017 Christian Udhardt, Felix Otto, Tino Kirchhübel, Falko Sojka, Tobias Hümpfner, Matthias Meißner, Christian Kern, Daniel Lüftner, Peter Puschnig, Bernd Schröter, Roman Forker, and Torsten Fritz
DPG Jahrestagung, Dresden, March, 2017.
"Influence of the Surface Structure on Photoelectron Momentum Maps Measured for Coronene Monolayers on Ag(111)"

03/2017 Xiaosheng Yang, Daniel Lüftner, Georg Koller, Peter Puschnig, Michael Ramsey, Matteo Jugovac, Giovanni Zamborlini, Vitaliy Feyer, Serguei Soubatch, and Stefan Tautz
DPG Jahrestagung, Dresden, March, 2017.
"Polarization-dependent ARPES investigation for organic molecules on Ag(110) and Cu(110)"

08/2017 Christian Teichert, Jakob Genser, Aleksandar Matkovic, Markus Kratzer, Rado Gaji, Zhongrui Chen, Olivier Siri, Conrad Becker, Daniel Lüftner, Peter Puschnig
Gemeinsame Jahrestagung von SPG und ÖPG, 21. - 25. August 2017, Genf.
"Growth of polar molecules on ultrathin hexagonal boron nitride"

08/2017 Hurdax, Philipp
ECOSS 2017, August 2017, Szeged.
"Charge Transfer and Orbital Level Alignment at Inorganic/Organic Interfaces: The Role of Dielectric Interlayers"

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"

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"

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)"

Talks at Conferences and Seminars

03/2015 Peter Puschnig
DPG meeting, TU Berlin, March 15th - 20th, 2015.
"Orbital tomography: beyond the plane wave final state approximation"

05/2015 Peter Puschnig
PCTC Seminar, Department of Chemistry, KFU Graz May, 8th, 2015.
"Orbital tomography: New Insights from Organic/Metal Interfaces"

06/2015 Daniel Lueftner
JKU Linz, 09.06.2015
"Orbital tomography: Understanding photoemission from molecular films"

09/2015 Peter Puschnig
Workshop on organic electronics, Como, Italy, September 14th - 19th, 2015.
"Orbital tomography: a combined experimental / theoretical approach to organic-metal interfaces"

02/2016 Knebl, Dario
OPON 2016, Wroclaw University of Technology, Breslau. 17.02.2016.
"Gap plasmonics of metallic nanoparticle dimers"

03/2016 Puschnig, Peter
Jahrestagung der DPG, Regensburg. 08.03.2016.
"Unravelling the Structural and Electronic Properties of Organic/Metal Interfaces with Photoemission Tomography"

04/2016 Puschnig, Peter
PLESI 2016 (Prospects and Limitations of Electronic Structure Imaging by Angle Resolved Photoemission Spectroscopy), Dresden. 28.04.2016.
"Photoemission Tomography: Fundamentals and Applications to Oriented Organic Layers"

04/2016 Puschnig, Peter
Physik Seminar MU Leoben, Leoben. 14.06.2016.
"Structural and Electronic Properties of Organic/Metal Interfaces investigated by Photoemission Tomography"

08/2016 Michael Hollerer, Phillip Hurdax, Daniel Lüftner, Thomas Ules, Simon Weiß, Sergey Subach, Peter Puschnig, Mike Ramsey, Martin Sterrer
ECOSS32, Grenoble. 30.08.2016
"Charge transfer to organic thin films on insulator/metal substrates"

09/2016 Michael Hollerer, Phillip Hurdax, Daniel Lüftner, Thomas Ules, Simon Weiß, Sergey Subach, Peter Puschnig, Mike Ramsey, Martin Sterrer
OePG Jahrestagung, Wien. 28.09.2016
"Charge transfer to organic thin films on insulator/metal substrates"

11/2016 Puschnig, Peter
FELMI Seminar, TU Graz, Graz. 04.11.2016.
"Structural and Electronic Propertiesof Organic/Metal Interfaces Investigated byPhotoemission Tomography"

11/2016 Lüftner, D.; Zamborlini G.; Feng Z.; Dri C.; Feyer V.; Puschnig P.
ASOMEA 8 (Advanced Spectroscopy of Organic Materials for Electronic Applications), Okazaki, Japan, 23.11.2016.
"Photoemission Tomography of Ni­TPP on Cu(100)"

03/2017 Hollerer, Michael; Daniel, Lüftner; Phillip, Hurdax; Thomas, Ules; Simon, Weiß; Sergey, Subach; Peter, Puschnig; Mike, Ramsey; Martin,Sterrer
Jahrestagung der DPG, Dresden, March 21st, 2017.
"Integer charge transfer induced by insulating layer"

03/2017 Daniel Lüftner, Giovanni Zamborlini, Zhijing Feng, Carlo Dri, Vitaly Feyer, and Peter Puschnig
Jahrestagung der DPG, Dresden, March 21st, 2017.
"Photoemission Tomography of NiTPP on Cu(100)"

03/2017 Peter Puschnig, Daniel Lüftner, Thomas Ules, Georg Koller, Xiaosheng; Yang, Simon Weiß, Vitaliy Feyer, F. Stefan Tautz, Michael Ramsey, and Sergey Soubatch
Jahrestagung der DPG, Dresden, March 22nd, 2017.
"Photoemission Tomography for Extended 2D Layers: The Role of Molecule/Substrate Interactions"

03/2017 Bernd Kollmann, Arun Kumar Manna, Daniel Lüftner, Leeor Kronik, Peter; Puschnig
Jahrestagung der DPG, Dresden, March 22nd, 2017.
"Electronic structure and solid-state optical properties of indigo from time-dependent optimally tuned range-separated hybrid functional theory"

04/2017 Puschnig, Peter
Festkoerperphysikseminar, Universitaet Jena, April, 21st 2017.
"Structural and Electronic Propertiesof Organic/Metal Interfaces fromPhotoemission Tomography"

08/2017 Aleksandar Matkovic, Markus Kratzer, Jakob Genser, Benjamin Kaufmann, Jasna Vujin,; Rado Gaji, Peter Puschnig, Olivier Siri, Conrad Becker, Christian Teichert
Gemeinsame Jahrestagung von SPG und ÖPG, August 24th 2017, Genf.
"Charge transfer and charge trapping at the interfaces between 2D materialsand molecular semiconductors"

08/2017 Bernd Kollmann, Arun Kumar Manna, Daniel Lüftner, Leeor Kronik, Peter Puschnig
Gemeinsame Jahrestagung von SPG und ÖPG, August 24th 2017, Genf.
"Electronic structure and solid-state optical properties of indigo from time-dependent optimally tuned range-separated hybrid functional theory"

03/2018 Puschnig, Peter
Frühjahrstagung der DPG - Sektion Kondensierte Materie, Berlin, 13.3.2018.
"Identifying on-surface reaction products and orbital modifications with photoemission tomography."

03/2018 Kollmann, Bernd; Puschnig, Peter
Frühjahrstagung der DPG - Sektion Kondensierte Materie, Berlin, 14.3.2018.
"Synthesis and combined experimental and theoretical characterization of dihydro-tetraaza-acenes."

03/2018 Aleksandar Matkovic; Markus Kratzer; Jakob Genser; Daniel Lüftner; Peter Puschnig; Zhongrui Chen; Olivier Siri; Conrad Becker; Christian Teichert
Frühjahrstagung der DPG - Sektion Kondensierte Materie, Berlin, 14.3.2018.
"Light assisted charge spreading and charge trapping in organic semiconductors needles supported by 2D materials."

03/2018 Xiaosheng Yang; Simon Weiß; Ina Krieger; Timo Heepenstrick; Michael Hollerer; Philipp Hurdax; Daniel Lüftner; Peter Puschnig; Georg Koller; Michael Ramsey; Moritz Sokolowski; Frank Stefan Tautz; Serguei Soubatch
Frühjahrstagung der DPG - Sektion Kondensierte Materie, Berlin, 16.3.2018.
"Oxygen-triggered electronic and structural decoupling at the PTCDA/Cu(100) interface."

06/2018 Hollerer, Michael; Pachmajer, Stefan; Lüftner, Daniel; Butej, Boris; Reinisch, Eva-Maria; Puschnig, Peter; Ramsey, Mike; Sterrer, Martin
San Luis Conference on Surfaces, Interfaces and Catalysis, Santa Fe, 08.06.2018.
"Crystalline growth of flexible organic molecules: 6P on Ag(001)."

06/2018 Hollerer, Michael; Hurdax, Philipp; Lüftner, Daniel; Koller, Georg; Puschnig, Peter; Ramsey, Mike; Sterrer, Martin
ICN+T, Brno, 24.07.2018.
"Energy alignment of organic molecules on metal and dielectric/metal systemsThe role of the dielectric interlayer."

06/2018 Puschnig, Peter
HoW exciting! workshop 2018, Berlin, 08.08.2018.
"Organic-metal interfaces investigated by photomission tomography: A combined experimental and theoretical approach."

09/2018 Larissa Egger
Jahrestagung der OePG, 12.9.2018, Graz, Austria.
"Metalation of Organic Molecules: 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."

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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