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


  • L. Madauß, O. Ochedowski, H. Lebius, B. Ban-d'Etat, C. Naylor, A. Johnson, J. Kotakoski & M. Schleberger: Defect engineering of single- and few-layer MoS2 by swift heavy ion irradiation | 2D Materials | 4:015034 | 2017 | DOI: 10.1088/2053-1583/4/1/015034.
  • T. Susi, C. Hofer, G. Argentero, G.T. Leuthner, T.J. Pennycook, C. Mangler, J.C. Meyer & J. Kotakoski: Isotope analysis in the transmission electron microscope | Nat. Commun. | 7:13040 | 2016 | DOI: 10.1038/ncomms13040.
  • C. Yim, K. Lee, N. McEvoy, M. O'Brien, S. Riazimehr, N.C. Berner, C.P. Cullen, J. Kotakoski, J.C. Meyer, M.C. Lemme & G.S. Duesberg: High-performance hybrid electronic devices from layered PtSe2 films grown at low temperature | ACS Nano | 10:9550–9558 | 2016 | DOI: 10.1021/acsnano.6b04898.
  • K. Elibol, B.C. Bayer, S. Hummel, J. Kotakoski, G. Argentero & J.C. Meyer: Visualizing the strain distribution in suspended two-dimensional materials under local deformation | Sci. Rep. | 6:28485 | 2016 | DOI: 10.1038/srep28485.
  • D. Emmrich, A. Beyer, A. Nadzeyka, S. Bauerdick, J.C. Meyer, J. Kotakoski & A. Gölzhäuser: Nanopore fabrication and characterization by helium ion microscopy | Appl. Phys. Lett. | 108:163103 | 2016 | DOI: 10.1063/1.4947277.
  • E. Mainini, H. Murakawa, P. Piovano & U. Stefanelli: Carbon-nanotube geometries as optimal configurations | Submitted | 2016.
  • M. Friedrich, P. Piovano & U. Stefanelli: The geometry of $C_{60}$: a rigorous approach via Molecular Mechanics | SIAM J. Appl. Math. | 76:2009–2029 | 2016.
  • U. Stefanelli: Stable carbon configurations | Boll. Unione Mat. Ital | 9:XXX | 2016.
  • E. Davoli, P. Piovano, U. Stefanelli: Wulff shape emergence in graphene | Math. Models Methods Appl. Sci. | to appear | 2016.
  • E. Davoli, P. Piovano, U. Stefanelli: Sharp n^{3/4} law for the minimizers of the edge-isoperimetric problem in the triangular lattice | Submitted | 2015 .
  • E. Mainini, H. Murakawa, P. Piovano, U. Stefanelli: Carbon-nanotube geometries: analytical and numerical result | Discr. Cont. Dyn. Syst. Ser. S | 10:14–160 | 2017.
  • J. Kotakoski, C. Brand, Y. Lilach, O. Cheshnovsky, C. Mangler, M. Arndt & J.C. Meyer: Towards two-dimensional all-carbon heterostructures via ion beam patterning of single-layer graphene | Nano Lett. | 15:5944–5949 | 2015 | DOI: 10.1021/acs.nanolett.5b02063.