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On the physisorption of water on graphene: a CCSD(T) study

Voloshina, Elena, Usvyat, Denis, Schütz, Martin, Dedkov, Yuriy and Paulus, Beate (2011) On the physisorption of water on graphene: a CCSD(T) study. Physical Chemistry, Chemical Physics (13), pp. 12041-12047.

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Date of publication of this fulltext: 01 Aug 2016 07:11

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The electronic structure of the zero-gap two-dimensional graphene has a charge neutrality point exactly at the Fermi level that limits the practical application of this material. There are several ways to modify the Fermi-level-region of graphene, e.g. adsorption of graphene on different substrates or different molecules on its surface. In all cases the so-called dispersion or van der Waals ...


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Item type:Article
Institutions:Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry III - Physical Chemistry (Molecular Spectroscopy and Photochemistry) > Prof. Dr. Bernhard Dick
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Dewey Decimal Classification:500 Science > 540 Chemistry & allied sciences
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Yes
Item ID:34169
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