Electronic transport calculation of adsorbate NO 2 and NO molecules on graphene using Maximally Localized Wannier functions

K. Imani (), M. R. Abolhassani and A. A. Sabouri-Dodaran

The European Physical Journal B: Condensed Matter and Complex Systems, 2010, vol. 74, issue 1, 135-138

Abstract: In this paper we have investigated the adsorption of the gas molecules (NO 2 , NO) on graphene, using first-principles methods. For full geometric relaxation of the molecules in the vicinity of a graphene sheet, we obtain the adsorption geometry, adsorption energies, charge transfer and density of states (DOS). We can identify which of the adsorbate molecules is acting as donor or acceptor. We find that the conductance of graphene at the Fermi level decreases with adsorbing NO 2 molecules and increases with adsorbing NO molecules. Copyright EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2010

Date: 2010
References: View complete reference list from CitEc
Citations:

Downloads: (external link)
http://hdl.handle.net/10.1140/epjb/e2010-00075-8 (text/html)
Access to full text is restricted to subscribers.

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:spr:eurphb:v:74:y:2010:i:1:p:135-138

Ordering information: This journal article can be ordered from
http://www.springer.com/economics/journal/10051

DOI: 10.1140/epjb/e2010-00075-8

Access Statistics for this article

The European Physical Journal B: Condensed Matter and Complex Systems is currently edited by P. Hänggi and Angel Rubio

More articles in The European Physical Journal B: Condensed Matter and Complex Systems from Springer, EDP Sciences
Bibliographic data for series maintained by Sonal Shukla () and Springer Nature Abstracting and Indexing ().