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

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Voloshina, Elena ; Usvyat, Denis ; Schütz, Martin ; Dedkov, Yuriy ; Paulus, Beate
License: Allianz- bzw. Nationallizenz
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Date of publication of this fulltext: 01 Aug 2016 07:11


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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