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

URN to cite this document:
urn:nbn:de:bvb:355-epub-341694
DOI to cite this document:
10.5283/epub.34169
Voloshina, Elena ; Usvyat, Denis ; Schütz, Martin ; Dedkov, Yuriy ; Paulus, Beate
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Date of publication of this fulltext: 01 Aug 2016 07:11



Abstract

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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