Regensburg 2013 – scientific programme

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DY: Fachverband Dynamik und Statistische Physik

DY 33: Poster II

DY 33.59: Poster

Thursday, March 14, 2013, 17:00–19:00, Poster C

Simulations of the structure formation of Alkyl-Adenine monolayers on graphene — •Oliver Rubner, Markus Bamler, Pritam Kumar Jana, and Andreas Heuer — Institut für Physikalische Chemie, Universität Münster

Recent experiments showed that N9-Alkyl-Adenine molecules can form two different domains when deposited on a graphene surface. These domains consist of networks with different arrangements of head (Adenine) and tail (Alkyl) groups. The formation of the domains and their relative abundance depends in a non trivial way on parameters like temperature or deposition flux. The exact molecular structure of the domains is, however, still unknown. In order to explain the experimental results we first performed quantum-chemical calculations to elucidate the possible network structure and the corresponding energetics. Given these parameters we used Monte-Carlo simulations to investigate the dependence of the structure formation on external parameters. We will present here a model that is consistent with the experimental findings and can be used to tune further experiments to control the network structure on a graphene surface.