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Phase transitions in self-assembled monolayers of alkanethiols containing the polar group

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Abstract

Equilibrium states of the system of self-assembled monolayers (SAMs) of n-alkanethiol molecules HS(CH2) n−1(X) with polar group X chemiabsorbed on the Au(111) crystal surface are considered. The couplings between the atoms (C, H) of the n-alkanethiols are approximated by the Lennard-Jones potential. The couplings between the n-alkanethiols and the crystal surface are approximated by the 12-3 potential. The interactions of polar groups and the self-images with the metal substrate are taken into consideration. The phase-transition temperatures, the structural order and equilibrium tilt, and the twist and azimuthal angles of the macromolecules, which depend on the dipole moments, are found.

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Authors and Affiliations

  1. L. V. Kirensky Institute of Physics Russian Academy of Sciences, 660036, Krasnoyarsk, Russia

    Y. V. Sukhinin

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  1. Y. V. Sukhinin
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Zh. Éksp. Teor. Fiz. 114, 208–221 (July 1998)

Published in English in the original Russian journal. Reproduced here with stylistic changes by the Translation Editor.

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Sukhinin, Y.V. Phase transitions in self-assembled monolayers of alkanethiols containing the polar group. J. Exp. Theor. Phys. 87, 115–122 (1998). https://doi.org/10.1134/1.558645

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  • DOI: https://doi.org/10.1134/1.558645

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