Orbital Tomography
  • Home
  • Publications
  • People
  • Menu Menu

Mathias Schwendt » People

Active members
  • Go back to directory.
  • Add to Address Book.

Mathias Schwendt

PhD Student Karl-Franzens-Universität GrazInstitute of Physics – Solid State Theory
Email: znguvnf.fpujraqg@hav-tenm.ngINTERNET Website: Electronic Structure Theory Group

Biographical Info

2021

2.

G. Di Santo, T. Miletić, M. Schwendt, Y. Zhou, B. M. Kariuki, K. D. M. Harris, L. Floreano, A. Goldoni, P. Puschnig, L. Petaccia, D. Bonifazi

Orbital Mapping of Semiconducting Perylenes on Cu(111) Journal Article

In: J. Chem. Phys. C, vol. 125, pp. 24477-24486, 2021.

Abstract | Links | BibTeX

@article{Santo2021,
title = {Orbital Mapping of Semiconducting Perylenes on Cu(111)},
author = {G. Di Santo and T. Miletić and M. Schwendt and Y. Zhou and B. M. Kariuki and K. D. M. Harris and L. Floreano and A. Goldoni and P. Puschnig and L. Petaccia and D. Bonifazi},
doi = {10.1021/acs.jpcc.1c05575},
year = {2021},
date = {2021-01-01},
journal = {J. Chem. Phys. C},
volume = {125},
pages = {24477-24486},
abstract = {Semiconducting O-doped polycyclic aromatic hydrocarbons constitute a class of molecules whose optoelectronic properties can be tailored by acting on the π-extension of the carbon-based frameworks and on the oxygen linkages. Although much is known about their photophysical and electrochemical properties in solution, their self-assembly interfacial behavior on solid substrates has remained unexplored so far. In this paper, we have focused our attention on the on-surface self-assembly of O-doped bi-perylene derivatives. Their ability to assemble in ordered networks on Cu(111) single-crystalline surfaces allowed a combination of structural, morphological, and spectroscopic studies. In particular, the exploitation of the orbital mapping methodology based on angle-resolved photoemission spectroscopy, with the support of scanning tunneling microscopy and low-energy electron diffraction, allowed the identification of both the electronic structure of the adsorbates and their geometric arrangement. Our multi-technique experimental investigation includes the structure determination from powder X-ray diffraction data for a specific compound and demonstrates that the electronic structure of such large molecular self-assembled networks can be studied using the reconstruction methods of molecular orbitals from photoemission data even in the presence of segregated chiral domains.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

Close

Semiconducting O-doped polycyclic aromatic hydrocarbons constitute a class of molecules whose optoelectronic properties can be tailored by acting on the π-extension of the carbon-based frameworks and on the oxygen linkages. Although much is known about their photophysical and electrochemical properties in solution, their self-assembly interfacial behavior on solid substrates has remained unexplored so far. In this paper, we have focused our attention on the on-surface self-assembly of O-doped bi-perylene derivatives. Their ability to assemble in ordered networks on Cu(111) single-crystalline surfaces allowed a combination of structural, morphological, and spectroscopic studies. In particular, the exploitation of the orbital mapping methodology based on angle-resolved photoemission spectroscopy, with the support of scanning tunneling microscopy and low-energy electron diffraction, allowed the identification of both the electronic structure of the adsorbates and their geometric arrangement. Our multi-technique experimental investigation includes the structure determination from powder X-ray diffraction data for a specific compound and demonstrates that the electronic structure of such large molecular self-assembled networks can be studied using the reconstruction methods of molecular orbitals from photoemission data even in the presence of segregated chiral domains.

Close

  • doi:10.1021/acs.jpcc.1c05575

Close

2020

1.

C. Metzger, M. Graus, M. Grimm, G. Zamborlini, V. Feyer, M. Schwendt, D. Lüftner, P. Puschnig, A. Schöll, F. Reinert

Plane-wave final state for photoemission from nonplanar molecules at a metal-organic interface Journal Article

In: Phys. Rev. B, vol. 101, iss. 16, pp. 165421, 2020.

Abstract | Links | BibTeX

@article{Metzger2020,
title = {Plane-wave final state for photoemission from nonplanar molecules at a metal-organic interface},
author = {C. Metzger and M. Graus and M. Grimm and G. Zamborlini and V. Feyer and M. Schwendt and D. Lüftner and P. Puschnig and A. Schöll and F. Reinert},
doi = {10.1103/PhysRevB.101.165421},
year = {2020},
date = {2020-04-01},
journal = {Phys. Rev. B},
volume = {101},
issue = {16},
pages = {165421},
publisher = {American Physical Society},
abstract = {In recent years, the method of orbital tomography has been a useful tool for the analysis of a variety of molecular systems. However, the underlying plane-wave final state has been largely expected to be applicable to planar molecules only. Here, we demonstrate on photoemission data from the molecule C60 adsorbed on Ag(110) that it can indeed be a valid approximation for truly three-dimensional molecules at a metal-organic interface. A comparison of the experimental data supported by density functional theory (DFT) calculations of the full interface and simulations of the photoemission process with a more exact final state enables the determination of the adsorption geometry and orientation of the C60 molecules in a monolayer on the Ag(110) surface. Additionally, charge transfer into the molecules is used to confirm the lifting in degeneracy of the t1u molecular orbitals as predicted by DFT calculations.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

Close

In recent years, the method of orbital tomography has been a useful tool for the analysis of a variety of molecular systems. However, the underlying plane-wave final state has been largely expected to be applicable to planar molecules only. Here, we demonstrate on photoemission data from the molecule C60 adsorbed on Ag(110) that it can indeed be a valid approximation for truly three-dimensional molecules at a metal-organic interface. A comparison of the experimental data supported by density functional theory (DFT) calculations of the full interface and simulations of the photoemission process with a more exact final state enables the determination of the adsorption geometry and orientation of the C60 molecules in a monolayer on the Ag(110) surface. Additionally, charge transfer into the molecules is used to confirm the lifting in degeneracy of the t1u molecular orbitals as predicted by DFT calculations.

Close

  • doi:10.1103/PhysRevB.101.165421

Close

Alumni
© Copyright - Orbital Tomography
  • Legal Notice
  • Privacy Policy
Scroll to top

This site uses cookies. By continuing to browse the site, you are agreeing to our use of cookies.

Accept settingsHide notification onlySettings

Cookie and Privacy Settings



How we use cookies

We may request cookies to be set on your device. We use cookies to let us know when you visit our websites, how you interact with us, to enrich your user experience, and to customize your relationship with our website.

Click on the different category headings to find out more. You can also change some of your preferences. Note that blocking some types of cookies may impact your experience on our websites and the services we are able to offer.

Essential Website Cookies

These cookies are strictly necessary to provide you with services available through our website and to use some of its features.

Because these cookies are strictly necessary to deliver the website, refusing them will have impact how our site functions. You always can block or delete cookies by changing your browser settings and force blocking all cookies on this website. But this will always prompt you to accept/refuse cookies when revisiting our site.

We fully respect if you want to refuse cookies but to avoid asking you again and again kindly allow us to store a cookie for that. You are free to opt out any time or opt in for other cookies to get a better experience. If you refuse cookies we will remove all set cookies in our domain.

We provide you with a list of stored cookies on your computer in our domain so you can check what we stored. Due to security reasons we are not able to show or modify cookies from other domains. You can check these in your browser security settings.

Other external services

We also use different external services like Google Webfonts, Google Maps, and external Video providers. Since these providers may collect personal data like your IP address we allow you to block them here. Please be aware that this might heavily reduce the functionality and appearance of our site. Changes will take effect once you reload the page.

Google Webfont Settings:

Google Map Settings:

Google reCaptcha Settings:

Vimeo and Youtube video embeds:

Privacy Policy

You can read about our cookies and privacy settings in detail on our Privacy Policy Page.

Privacy Policy
Accept settingsHide notification only