Journal Article

PreJuSER-21704

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Interaction between graphene and the surface of SiO2

Fan, X. F. ; Zheng, W. T. ; Chihaia, V.FZJ* ; Shen, Z. X. ; Kuo, J.-L.

2012
IOP Publ. Bristol

This record in other databases:      

Please use a persistent id in citations: http://hdl.handle.net/2128/23201  doi:10.1088/0953-8984/24/30/305004

Abstract: The interaction between graphene and a SiO(2) surface has been analyzed with first-principles DFT calculations by constructing the different configurations based on α-quartz and cristobalite structures. The fact that single-layer graphene can stay stably on a SiO(2) surface is explained based on a general consideration of the configuration structures of the SiO(2) surface. It is found that the oxygen defect in a SiO(2) surface can shift the Fermi level of graphene down which opens up the mechanism of the hole-doping effect of graphene adsorbed on a SiO(2) surface observed in a lot of experiments.

Keyword(s): J

Note: Record converted from VDB: 12.11.2012

---

Contributing Institute(s):

1. Jülich Supercomputing Centre (JSC)

Research Program(s):

1. Scientific Computing (FUEK411) (FUEK411)
2. 411 - Computational Science and Mathematical Methods (POF2-411) (POF2-411)

Appears in the scientific report 2012

---

Database coverage:
; ; Current Contents - Social and Behavioral Sciences ; JCR ; Nationallizenz ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

---