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Deriving molecular bonding from macromolecular self-assembly

2008/03/03 by Fabien Silly, Silly, Fabien, Ulrich K. Weber +15
Engineering · Physics and Astronomy · #Advanced Chemical Physics Studies #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Molecular Junctions and Nanostructures #Surface Chemistry and Catalysis #cond-mat.mtrl-sci

paper · pdf · doi:10.48550/arxiv.0803.0213

arxiv created 2008/03/03 · openalex publication_date 2008/03/03 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

Macromolecules can form regular structures on inert surfaces. We have developed a combined empirical and modeling approach to derive the bonding. From experimental scanning tunneling microscopy (STM) images of structures formed on Au(111) by melamine, by PTCDA, and by a 2:3 mixture of the two, we determine the molecular bonding morphologies. Within these bonding morphologies and recognizing the distinction between cohesive and adhesive molecular interactions we simultaneously simulated different molecular structures using a lattice Monte Carlo method. Within these bonding morphologies there is a distinction between cohesive and adhesive molecular interactions. We have simulated different molecular structures using a lattice Monte Carlo method.

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