Arkady Krasheninnikov: New morphologies in graphene on Ir and 2D transition metal dichalcogenides: insights from first-principles calculations

posted 14 Jun 2017, 00:54 by Peter Boggild
Helmholtz Zentrum Dresden-Rossendorf, Germany, and Aalto University, Finland 

Both free-standing and supported 2D materials contain defects and impurities, which may govern the electronic and optical properties of these materials. Moreover, defects can give rise to the development of new morphologies either under electron beam or atom deposition. In my talk, I will present the results [1-3] of our first-principles theoretical studies of defects and new morphologies, such as new phases or extended defects, obtained in collaboration with several experimental groups. Specifically, I will dwell upon a new type of predominantly sp2-hybridized nanostructured representing a regular array of fullerene-like, thermally highly stable carbon clusters that are covalently bonded to the underlying graphene sheet grown by depositing carbon atoms on top of graphene on Ir substrate [1]. I will further discuss the development of line defects [2] and fragments of metallic phases in free-standing TMDs [3] under electron beam irradiation. 

1.C. Herbig, T.Knispel, S. Simon, U.A. Schröder, A.J. Martínez-Galera, M.A. Arman, C. Teichert, J. Knudsen, A.V. Krasheninnikov, and T. Michely, Nano Letters 17 (2017) 3105. 
2. H.-P. Komsa and A. V. Krasheninnikov, Advanced Electronic Materials 3 (2017) 1600468. 
3. S. Kretschmer, H.-P. Komsa, P. Bøggild and A. V. Krasheninnikov, JPC Lett. (2017) in press.

Arkady Krasheninnikov is a Group Leader at the Institute of Ion Beam Physics and Materials Research, Helmholtz-Zentrum Dresden- Rossendorf, Germany, and a Guest/Visiting Professor at Danish Technical University and Aalto University, Finland. He received his Ph.D. degree in 1995 from Moscow State Engineering Physics Institute, Russia. His current scientific interests include various areas of computational materials science, electronic- structure calculations, two-dimensional materials, and irradiation effects in solids.