Variational Modeling of Carbon Nanostructures


Within this project, we make a multidisciplinary effort towards a comprehensive understanding of carbon nanostructures, both in their ideal crystalline form and in the presence of defects. To achieve this, we combine variational modelling with state-of-the-art electron microscopy and computational physics. The project is a collaboration between the Faculty of Physics and Faculty of Mathematics at the University of Vienna.

Funder: Wiener Wissenschafts-, Forschungs- und Technologiefonds (WWTF)

Project identifier: MA14-009

Principal investigators: U. Stefanelli (Faculty of Mathematics) & J. Kotakoski (Faculty of Physics)

Project website: Hosted at the Faculty of Mathematics

Project publications

Showing entries 0 - 20 out of 40


Liao, Y., Mustonen, K., Tulić, S., Skákalová, V., Khan, S. A., Laiho, P., ... Kauppinen, E. I. (2019). Enhanced Tunneling in a Hybrid of Single-Walled Carbon Nanotubes and Graphene. ACS Nano, 13(10), 11522-11529.

Su, C., Tripathi, M., Yan, Q. B., Wang, Z., Zhang, Z., Hofer, C., ... Li, J. (2019). Engineering single-atom dynamics with electron irradiation. Science Advances, 5(5), [eaav2252].

Kozubek, R., Tripathi, M., Ghorbani-Asl, M., Kretschmer, S., Madauß, L., Pollmann, E., ... Schleberger, M. (2019). Perforating Freestanding Molybdenum Disulfide Monolayers with Highly Charged Ions. Journal of Physical Chemistry Letters, 10(5), 904-910.


Tripathi, M., Markevich, A., Böttger, R., Facsko, S., Besley, E., Kotakoski, J., & Susi, T. (2018). Implanting Germanium into Graphene. ACS Nano, 12(5), 4641-4647.

Skákalová, V., Kotrusz, P., Jergel, M., Susi, T., Mittelberger, A., Vretenár, V., ... Hulman, M. (2018). Chemical Oxidation of Graphite: Evolution of the Structure and Properties. Journal of Physical Chemistry C, 122(1), 929-935.

Tripathi, M., Mittelberger, A., Pike, N., Mangler, C., Meyer, J. C., Verstraete, M., ... Susi, T. (2018). Electron-Beam Manipulation of Silicon Dopants in Graphene. Nano Letters, 18(8), 5319–5323.


Susi, T., Skákalová, V., Mittelberger, A., Kotrusz, P., Hulman, M., Pennycook, T. J., ... Meyer, J. C. (2017). Computational insights and the observation of SiC nanograin assembly: towards 2D silicon carbide. Scientific Reports, 7(1), [4399].

Zhao, X., Kotakoski, J., Meyer, J. C., Sutter, E., Sutter, P., Krasheninnikov, A. V., ... Zhou, W. (2017). Engineering and modifying two-dimensional materials by electron beams. MRS Bulletin, 42(9), 667-676.

Showing entries 0 - 20 out of 40