Interaction between graphene and the surface of SiO2

The interaction between graphene and a SiO2 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 SiO2 surface is explained based on a gener...

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Bibliographic Details
Main Authors: Chihaia, Viorel, Shen, Zexiang, Kuo, Jer-Lai, Fan, X. F., Zheng, W. T.
Other Authors: School of Physical and Mathematical Sciences
Format: Article
Language:English
Published: 2013
Online Access:https://hdl.handle.net/10356/99241
http://hdl.handle.net/10220/17247
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Institution: Nanyang Technological University
Language: English
Description
Summary:The interaction between graphene and a SiO2 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 SiO2 surface is explained based on a general consideration of the configuration structures of the SiO2 surface. It is found that the oxygen defect in a SiO2 surface can shift the Fermi level of graphene down which opens up the mechanism of the hole-doping effect of graphene adsorbed on a SiO2 surface observed in a lot of experiments.