Fig. 2: Computational analysis of L-F6PEN nanosheet formation.

a, b Attachment energy maps (AEMs) for a single L-F₆PEN molecule and a 3 × 4 island of L-F₆PEN molecules, respectively, probed by an equally oriented L-F₆PEN molecule. Inset: Illustration of the boundary of the excluded area (red) that marks relative displacements that are physically inaccessible due to Pauli repulsion. c Probability p(LE) for attachment of an L-F₆PEN admolecule to a long side edge (LE) for a given island shape of m_a molecules in direction 〈\(\mathop{a}\limits^{ \rightharpoonup }\)〉 and n_b molecules in direction 〈\(\mathop{b}\limits^{ \rightharpoonup }\)〉, as function of the island shape m_a × n_b. Note that p(LE) = 1 – p(SE). The yellow line marks a geometrical aspect ratio of the nanosheets of 1:1. Inset: Illustrated reading instruction for the map. The colour of the molecule in the top right corner of the exemplary 3 × 2 island denotes p(LE) for this island shape, in this case 60%. d Map of the desorption sequence of L-F₆PEN molecules from a 20 × 50 island averaged from 50 simulated temperature-programmed desorption experiments.