Berlin 2018 – wissenschaftliches Programm

Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe

O: Fachverband Oberflächenphysik

O 48: Poster: 2D Materials beyond Graphene: TMDCs, Silicene and Relatives

O 48.4: Poster

Dienstag, 13. März 2018, 18:15–20:30, Poster A

Structure and mechanical properties of carbon nanomembranes — •Florian Gayk, Julian Ehrens, Tjark Heitmann, Andreas Mrugalla, Patrick Vorndamme, and Jürgen Schnack — Universität Bielefeld, PF 100131, D-33615 Bielefeld

Carbon nanomembranes (CNMs) are successfully synthesised by irradiating monolayers of polyaromatic molecules with electrons which induces crosslinking [1]. But the internal structure of the resulting CNMs remains vague. To make a proposal we investigate them in terms of classical molecular dynamics calculations using LAMMPS. Since several classical carbon potentials are available we first study the accuracy of the potentials concerning Young's moduli by testing them on well known structures such as diamond or graphene. The second generation REBO and EDIP potentials turn out to provide reasonable results. We propose a method how to simulate the effect of the irradiation process in our molecular dynamics framework. The obtained CNM structures are discussed.

[1] P. Angelova et al., ACS Nano 7 (2013) 6489