Template Driven Self-Assembly of the Pentacene Structure on the Si(553)-Pb Surface

Nita, Paweł and Dachniewicz, Marek and Jałochowski, Mieczysław and Palotás, Krisztián and Krawiec, Mariusz (2022) Template Driven Self-Assembly of the Pentacene Structure on the Si(553)-Pb Surface. JOURNAL OF PHYSICAL CHEMISTRY C, 126 (41). pp. 17738-17745. ISSN 1932-7447

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Abstract

The self-assembly of the pentacene molecules on the Pb-ordered Si(553) surface is studied with scanning tunneling microscopy and density functional theory methods. Within the surface coverage up to a single monolayer, pentacene was found to form two different chain-like structures. They vary in molecular density, but both exhibit long-range, one-dimensional ordering with longer molecular axes aligned along step edges. The low-density phase consists of single discontinuous molecular rows and adapts the template surface periodicity, while the high-density phase features triple molecular chains with the unit cell determined by the length of the pentacene molecules. Such an arrangement of the molecules is controlled by a subtle balance between molecule–molecule and molecule–substrate interactions.

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