Adsorption of polar molecules on a molecular surface

Geoffrey R. Hutchison, Mark A Ratner, Tobin J Marks, R. Naaman

Research output: Contribution to journalArticle

26 Citations (Scopus)

Abstract

Calculations are presented on the electrostatic potential modification arising from molecular adsorbates on a molecular monolayer. Analysis at the ab initio level indicates that the overall dipole moment of the bimolecular monolayer-adsorbate complex formed on physisorption is dominated by the dipole moments of the individual molecules, with a small correction due to charge transfer. The induced dipole moment is greatest with more polarizable molecular monolayer constituents such as p-nitroaniline. Additionally, numerical simulation shows that the average electric field across the adsorbing surface increases linearly with the number of adsorbed analyte molecules and exhibits an inverse dependence on the thickness of the monolayer. This thickness dependence indicates a long-range effect of the dipole layer resulting from the two-dimensional nature of the system.

Original languageEnglish
Pages (from-to)2881-2884
Number of pages4
JournalJournal of Physical Chemistry B
Volume105
Issue number15
DOIs
Publication statusPublished - Apr 19 2002

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Monolayers
Dipole moment
dipole moments
Adsorption
Molecules
adsorption
Adsorbates
molecules
Physisorption
charge transfer
electrostatics
dipoles
Charge transfer
Electrostatics
electric fields
Electric fields
Computer simulation
simulation

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Adsorption of polar molecules on a molecular surface. / Hutchison, Geoffrey R.; Ratner, Mark A; Marks, Tobin J; Naaman, R.

In: Journal of Physical Chemistry B, Vol. 105, No. 15, 19.04.2002, p. 2881-2884.

Research output: Contribution to journalArticle

Hutchison, Geoffrey R. ; Ratner, Mark A ; Marks, Tobin J ; Naaman, R. / Adsorption of polar molecules on a molecular surface. In: Journal of Physical Chemistry B. 2002 ; Vol. 105, No. 15. pp. 2881-2884.
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