Advanced Materials, Vol.23, No.39, 4532-4532, 2011
Simulation of Vapor-Phase Deposition and Growth of a Pentacene Thin Film on C-60 (001)
The formation of the heterojunction between two organic semiconductors, pentacene on top of Buckminster fulle rene, is simulated using a virtual vapor deposition experiment. The thin-film growth is characterized by a lying-to-standing collective reorientation of pentacene molecules, corresponding to the onset of crystalline order. The mechanism is coverage dependent and reorientation occurs earlier for the second monolayer.