Trapping excess electrons in molecular charge pockets on surfaces

A. F. Jalbout, Ludwik Adamowicz

Research output: Contribution to journalArticle

17 Citations (Scopus)

Abstract

This work considers the use of theoretical ab initio calculations to design a novel molecular trap for excess electrons. The basic principle is to develop a model by which these electrons can be stabilized by charge pockets on the surface of molecules. Calculations reveal that systems with OH groups can form stable hydrogen-bonded networks on one side of a hydrocarbon surface (i.e. cyclohexane sheets), while the hydrogen atoms on the opposite side of this surface form a pocket of positive charge that attracts the extra negative charge.

Original languageEnglish (US)
Pages (from-to)3101-3106
Number of pages6
JournalMolecular Physics
Volume104
Issue number19
DOIs
StatePublished - Oct 10 2006

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Hydrogen
trapping
Electrons
Hydrocarbons
electrons
cyclohexane
hydrogen atoms
hydrocarbons
traps
Atoms
Molecules
hydrogen
molecules
Cyclohexane

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Trapping excess electrons in molecular charge pockets on surfaces. / Jalbout, A. F.; Adamowicz, Ludwik.

In: Molecular Physics, Vol. 104, No. 19, 10.10.2006, p. 3101-3106.

Research output: Contribution to journalArticle

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