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Piskorz, T.K. (author), De Vries, A. H. (author), van Esch, J.H. (author)In recent years, computational methods have become an essential element of studies focusing on the self-assembly process. Although they provide unique insights, they face challenges, from which two are the most often mentioned in the literature: the temporal and spatial scale of the self-assembly. A less often mentioned issue, but not less...journal article 2021
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Piskorz, T.K. (author), Gobbo, Cristian (author), Marrink, Siewert J. (author), De Feyter, Steven (author), De Vries, Alex H. (author), van Esch, J.H. (author)Coarse-grained molecular dynamics simulations are employed to obtain a detailed view of the formation of long-range ordered lamellar structures of physisorbed self-assembling long functionalized alkanes on graphite. During the self-assembly, two processes take place: Langmuir preferential adsorption and rearrangement on the surface. The...journal article 2019
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Piskorz, T.K. (author), De Vries, Alex H. (author), De Feyter, Steven (author), van Esch, J.H. (author)Ostwald ripening can improve the long-range order of self-assembled monolayers by the growth of large domains and disassembly of smaller ones. Here, coarse-grained molecular dynamics simulations are used to study the dynamics of the stable assembly and the coarsening of defects of physisorbed monolayers of long-chain functionalized alkanes....journal article 2018