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The role of intermolecular polarization for the stability of lithium intercalation compounds of a- and ß-perylene
Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Surface Physics and Chemistry .
Linköping University, The Institute of Technology. Linköping University, Department of Science and Technology.ORCID iD: 0000-0001-8845-6296
Center for Molecular Modeling, Department of Chemistry, University of Pennsylvania, Philadelphia, PA 19104.
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2004 (English)In: Journal of Chemical Physics, ISSN 0021-9606, Vol. 121, no 5, 2239-2245 p.Article in journal (Refereed) Published
Abstract [en]

The charge transfer in Li-intercalation compounds of the polyaromatic hydrocarbon perylene was examined. It was found that the valence and core-level photoelectron spectroscopies characterized the bonding configuration of the alkali metal atoms. The effect of intermolecular polarization on the ionization potential of Li atoms was compensated by a screening of the Madelung energy. The data collected illustrated that the large charge transfer in the a-perylene was due to the lower ionization potential of lithium atoms.

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2004. Vol. 121, no 5, 2239-2245 p.
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Engineering and Technology
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URN: urn:nbn:se:liu:diva-45673DOI: 10.1063/1.1768153OAI: oai:DiVA.org:liu-45673DiVA: diva2:266569
Available from: 2009-10-11 Created: 2009-10-11 Last updated: 2013-09-12

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Friedlein, RainerCrispin, XavierSalaneck, William R

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