N,N'-dimethylperylene-3,4,9,10-bis(dicarboximide) on alkali halide(001) surfaces

Abstract

The growth of N,N'-dimethylperylene-3,4,9,10-bis(dicarboximide) (DiMe-PTCDI) on KBr(001) and NaCl(001) surfaces has been studied. Experimental results have been achieved using frequency modulation atomic force microscopy at room temperature under ultra-high vacuum conditions. On both substrates, DiMe-PTCDI forms molecular wires with a width of 10 nm, typically, and a length of up to 600 nm at low coverages. All wires grow along the [110] direction (or [1$\bar{1}$0] direction, respectively) of the alkali halide (001) substrates. There is no wetting layer of molecules: Atomic resolution of the substrates can be achieved between the wires. The wires are mobile on KBr surface but substantially more stable on NaCl. A p(2 x 2) superstructure in brickwall arrangement on the ionic crystal surfaces is proposed based on electrostatic considerations. Calculations and Monte-Carlo simulations using empirical potentials reveal possible growth mechanisms for molecules within the first layer for both substrates, also showing a significantly higher binding energy for NaCl(001). For KBr, the p(2 x 2) superstructure is confirmed by the simulations, for NaCl, a less dense, incommensurate superstructure is predicted.