This title appears in the Scientific Report :
2012
Please use the identifier:
http://dx.doi.org/10.1088/0953-8984/24/30/305004 in citations.
Please use the identifier: http://hdl.handle.net/2128/23201 in citations.
Interaction between graphene and the surface of SiO2
Interaction between graphene and the surface of SiO2
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 g...
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Personal Name(s): | Fan, X.F. |
---|---|
Zheng, W.T. / Chihaia, V. / Shen, Z.X. / Kuo, J.-L. | |
Contributing Institute: |
Jülich Supercomputing Center; JSC |
Published in: | Journal of physics / Condensed matter, 24 (2012) S. 305004 |
Imprint: |
Bristol
IOP Publ.
2012
|
Physical Description: |
305004 |
PubMed ID: |
22713875 |
DOI: |
10.1088/0953-8984/24/30/305004 |
Document Type: |
Journal Article |
Research Program: |
Computational Science and Mathematical Methods Scientific Computing |
Series Title: |
Journal of Physics: Condensed Matter
24 |
Subject (ZB): | |
Link: |
Get full text OpenAccess OpenAccess |
Publikationsportal JuSER |
Please use the identifier: http://hdl.handle.net/2128/23201 in citations.
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. |