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Structural Organization in Self-Assembled Monolayers

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Computer Simulation in Materials Science

Part of the book series: NATO ASI Series ((NSSE,volume 205))

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Abstract

Computer simulation molecular dynamics calculations have been used to investigate the behavior of monolayers of long-chain molecules tethered to various substrates. Specifically, we are interested in quasi-two-dimensional overlayers of long-chain thiols that can be prepared by self-assembly from solution on to well-characterized substrates, such as gold or silver. The eventual aim is to understand the extent to which the underlying substrate can influence the chain packing and the ways in which different polar terminal groups can alter the physical properties of the monolayer. The motivation for this study is that it complements experimental programs currently underway to study organic thin films.

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Author information

Authors and Affiliations

  1. Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania, 19104-6323, USA

    Joseph Hautman & Michael L. Klein

Authors
  1. Joseph Hautman
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  2. Michael L. Klein
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Editor information

Editors and Affiliations

  1. CNRS-LPM, Meudon, France

    Madeleine Meyer

  2. Centre d’Etudes Nucléaires de Saclay, SRMP-CEREM, Gif-sur-Yvette, France

    Vassilis Pontikis

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© 1991 Springer Science+Business Media Dordrecht

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Hautman, J., Klein, M.L. (1991). Structural Organization in Self-Assembled Monolayers. In: Meyer, M., Pontikis, V. (eds) Computer Simulation in Materials Science. NATO ASI Series, vol 205. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-3546-7_20

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  • DOI: https://doi.org/10.1007/978-94-011-3546-7_20

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-94-010-5570-3

  • Online ISBN: 978-94-011-3546-7

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