Adsorption of pentacene on a silicon surface

A Computational Study of the Sub-monolayer Growth of Pentacene

“…Gaussian 98 calculations confirm experimental studies that show that passivation of the silicon (100) surface with cyclopentene molecules completely changes the nature of interactions between the pentacene molecules and the substrate from a strongly chemically bonded origin (on bare Si) [1,7,8] to one dictated by weak van der Waals interactions. This, consequently, significantly alters the nature of the thin film growth.…”

“…dangling silicon bonds. [1,7,8] Pentacene molecules deposited on top of such a monolayer tend to adopt the thermodynamically stable herringbone structure. Treating a bare silicon surface with an ordered array of cyclohexene molecules eliminates the flat-lying layer.…”

Molecular orientation transformation of pentacene on amorphous SiO2: A computational study on the initial growth stage of physical vapor deposition

“…The simulation leads to E m À m ð12Þ¼0.5 eV, which is larger than E m À s ð12Þ with the value of 0.47 eV. The stronger molecule-molecule interactions makes θð12Þ increase up to 35.71, which is 3.31 larger than θð11Þ.…”

“…Fundamental to the improvement of OTFTs is an understanding of the interactions not only between the organic molecules but also between the molecules and the substrates [35]. The molecular orientation on a given substrate is usually determined by the relative strength between the molecule-molecule interactions and that of the molecule-substrate interactions [5,14,36,37].…”

Enhancement of Interconnectivity in the Channels of Pentacene Thin‐Film Transistors and Its Effect on Field‐Effect Mobility

“…We could confirm that, based on AFM morphological features for the pentacene ultrathin films (10, 30, and 60 Å, not shown) deposited at 0.1 Å s -1 , pentacene was grown showing 3D structure, not a continuous single monolayer at the early stage. [9,[18][19][20][21][22][23][24] After an additional deposition of 2 nm (Fig. 2a) and 5 nm (Fig.…”