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• W4200313735 endingPage "152203" @default.
• W4200313735 startingPage "152203" @default.
• W4200313735 abstract "• The upright crystalline islands emerge on rough SAM functionalized Au surfaces. • The energy exchange drives the formation and reorientation of the nucleus. • The high temperature delays the onset of reorientation but accelerates this process. • The surface roughness affects the location of nucleation and reorientation. • The energy barrier at the step edge can limit the movement of pentacene molecules. The fabrication of high-quality organic semiconductor thin films has crucial impact on the electrical properties of organic electronic devices. Here, we provide atomistic insights into dynamic growth of pentacene thin films on different Au surfaces functionalized with self-assembled monolayers (SAMs). First, disordered crystal structures are formed on both bare Au and smooth SAM functionalized Au surfaces, while the upright crystalline islands emerge on rough SAM surfaces. During the growth process on rough SAM surfaces, organic semiconductor molecules undergo the nucleation and reorientation, and eventually form thin films with terrace morphologies. In addition, the interaction energies among pentacene molecules and between pentacene and SAM molecules will affect the formation and reorientation of the seed nucleus. Furthermore, the effect of substrate temperature on the pentacene growth is also evaluated. The high substrate temperature delays the onset of nucleus reorientation but accelerate the reorientation process. Finally, free energy calculations demonstrate that the surface roughness plays an important role in the formation and orientation of the seed nucleus. Meanwhile, the energy barrier at the step edge of the terrace morphology can prevent molecules from crossing the step edge." @default.
• W4200313735 created "2021-12-31" @default.
• W4200313735 creator A5021984184 @default.
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• W4200313735 creator A5090464788 @default.
• W4200313735 date "2022-03-01" @default.
• W4200313735 modified "2023-10-17" @default.
• W4200313735 title "Atomistic insights into dynamic growth of pentacene thin films on metal surfaces functionalized with self-assembled monolayers" @default.
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• W4200313735 doi "https://doi.org/10.1016/j.apsusc.2021.152203" @default.
• W4200313735 hasPublicationYear "2022" @default.
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